 | | 128 | | Name: | SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE | | Formula: | C16 H17 N8 O19 P3 | | SMILES: | P(=O)(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(C2C1OC3(O2)C(=C/C(C=C3[N+](=O)[O-])=[N+](/O)[O-])[N+](=O)[O-])n4cnc5c(N)ncnc45 | | InChi: | InChI=1S/C16H17N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7,11-12,15H,3H2,(H,25,26)(H,34,35)(H,36,37)(H2,17,18,19)(H2,31,32,33)/t7-,11-,12-,15-/m1/s1 | | Definition date: | 2001-02-28 | | Last modified: | 2017-04-18 | | Identifier: | 2',3'-O-{(1R)-4-[hydroxy(oxo)-lambda~5~-azanylidene]-2,6-dinitrocyclohexa-2,5-diene-1,1-diyl}adenosine 5'-(tetrahydrogen triphosphate) |
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 | | 7MF | | Name: | [(7~{S})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | | Formula: | C17 H19 Br N O2 | | SMILES: | [NH3+][CH]1CCc2c(Br)ccc(c2CC1(O)O)c3ccccc3 | | InChi: | InChI=1S/C17H18BrNO2/c18-15-8-6-12(11-4-2-1-3-5-11)14-10-17(20,21)16(19)9-7-13(14)15/h1-6,8,16,20-21H,7,9-10,19H2/p+1/t16-/m0/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | [(7~{S})-1-bromanyl-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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 | | 7MK | | Name: | [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | | Formula: | C11 H16 N O2 | | SMILES: | [NH3+][CH]1CCc2ccccc2CC1(O)O | | InChi: | InChI=1S/C11H15NO2/c12-10-6-5-8-3-1-2-4-9(8)7-11(10,13)14/h1-4,10,13-14H,5-7,12H2/p+1/t10-/m0/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | [(7~{S})-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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 | | 7ML | | Name: | [(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium | | Formula: | C17 H20 N O2 | | SMILES: | [NH3+][CH]1CCc2cccc(c3ccccc3)c2CC1(O)O | | InChi: | InChI=1S/C17H19NO2/c18-16-10-9-13-7-4-8-14(12-5-2-1-3-6-12)15(13)11-17(16,19)20/h1-8,16,19-20H,9-11,18H2/p+1/t16-/m0/s1 | | Definition date: | 2016-11-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | [(7~{S})-6,6-bis(oxidanyl)-4-phenyl-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium |
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 | | 6Z6 | | Name: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile | | Formula: | C27 H22 N2 O3 | | SMILES: | COc1ccc(cc1)[CH]2C(=C(N)OC3=C2C(=O)C[CH](C3)c4cccc5ccccc45)C#N | | InChi: | InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3/t18-,25?/m1/s1 | | Definition date: | 2016-07-28 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | (7~{S})-2-azanyl-4-(4-methoxyphenyl)-7-naphthalen-1-yl-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile |
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 | | 6J7 | | Name: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one | | Formula: | C10 H11 Br N5 O7 P | | SMILES: | Brc2nc1C(=O)NC(=Nc1n2C3C(O)C4C(O3)COP(O4)(=O)O)N | | InChi: | InChI=1S/C10H11BrN5O7P/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(22-8)1-21-24(19,20)23-5/h2,4-5,8,17H,1H2,(H,19,20)(H3,12,14,15,18)/t2-,4-,5-,8-/m1/s1 | | Definition date: | 2016-04-13 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 2-amino-8-bromo-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,9-dihydro-6H-purin-6-one |
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 | | 8X2 | | Name: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one | | Formula: | C22 H25 N7 O | | SMILES: | CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4[nH]c5CCNC(=O)c5c4)cc2 | | InChi: | InChI=1S/C22H25N7O/c1-28-10-12-29(13-11-28)16-4-2-15(3-5-16)25-22-24-9-7-19(27-22)20-14-17-18(26-20)6-8-23-21(17)30/h2-5,7,9,14,26H,6,8,10-13H2,1H3,(H,23,30)(H,24,25,27) | | Definition date: | 2017-03-21 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | 2-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
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 | | 8M7 | | Name: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide | | Formula: | C19 H27 N3 O7 | | SMILES: | C(C)C(CC)C(NC1C(C(O)C(CO)OC/1=N/OC(Nc2ccccc2)=O)O)=O | | InChi: | InChI=1S/C19H27N3O7/c1-3-11(4-2)17(26)21-14-16(25)15(24)13(10-23)28-18(14)22-29-19(27)20-12-8-6-5-7-9-12/h5-9,11,13-16,23-25H,3-4,10H2,1-2H3,(H,20,27)(H,21,26)/b22-18-/t13-,14-,15-,16-/m1/s1 | | Definition date: | 2017-02-16 | | Last modified: | 2017-04-14 | | Release date: | 2017-04-19 | | Identifier: | N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide (non-preferred name) |
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 | | 70G | | Name: | 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid | | Formula: | C14 H18 O2 | | SMILES: | C(C(O)=O)CC2c1c(C)cccc1CCC2 | | InChi: | InChI=1S/C14H18O2/c1-10-4-2-5-11-6-3-7-12(14(10)11)8-9-13(15)16/h2,4-5,12H,3,6-9H2,1H3,(H,15,16)/t12-/m1/s1 | | Definition date: | 2016-08-05 | | Last modified: | 2017-04-07 | | Release date: | 2017-04-12 | | Identifier: | 3-[(1R)-8-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanoic acid |
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 | | 6FW | | Name: | 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one | | Formula: | C16 H15 Cl N5 O7 P S | | SMILES: | C1(N=C(N)Nc2n(c(nc12)Sc3ccc(Cl)cc3)C5C(C4C(COP(=O)(O)O4)O5)O)=O | | InChi: | InChI=1S/C16H15ClN5O7PS/c17-6-1-3-7(4-2-6)31-16-19-9-12(20-15(18)21-13(9)24)22(16)14-10(23)11-8(28-14)5-27-30(25,26)29-11/h1-4,8,10-11,14,23H,5H2,(H,25,26)(H3,18,20,21,24)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2016-04-01 | | Last modified: | 2017-04-07 | | Release date: | 2017-04-12 | | Identifier: | 2-amino-8-[(4-chlorophenyl)sulfanyl]-9-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one |
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 | | IF6 | | Name: | (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY- | | Formula: | C15 H29 N4 O6 | | SMILES: | O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O | | InChi: | InChI=1S/C15H28N4O6.H2/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21 | | Definition date: | 2016-03-22 | | Last modified: | 2017-04-07 | | Release date: | 2017-04-12 | | Identifier: | (1S,2R,3S,4S,5S,6R)-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; hydrogen |
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 | | J13 | | Name: | (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate | | Formula: | C15 H26 N4 O7 | | SMILES: | C1(C(C(C(C(C1)O)O)O)C(=O)[O-])NC(=O)CCCCCCCN=[N+]=[N-] | | InChi: | InChI=1S/C15H26N4O7/c16-19-17-7-5-3-1-2-4-6-8(20)18-10-9(15(25)26)11(21)13(23)14(24)12(10)22/h9-14,21-24H,1-7H2,(H,18,20)(H,25,26)/t9-,10+,11+,12-,13-,14-/m0/s1 | | Definition date: | 2016-03-22 | | Last modified: | 2017-04-07 | | Release date: | 2017-04-12 | | Identifier: | (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate |
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 | | 8EM | | Name: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide | | Formula: | C37 H31 N7 O3 | | SMILES: | N4(Cc1ccc(cc1)c2c(cccc2)c3nnnn3)C(=Nc5ccc(cc5C4=O)N(C(c6ccccc6)=O)Cc7occc7)CCC | | InChi: | InChI=1S/C37H31N7O3/c1-2-9-34-38-33-20-19-28(43(24-29-12-8-21-47-29)36(45)27-10-4-3-5-11-27)22-32(33)37(46)44(34)23-25-15-17-26(18-16-25)30-13-6-7-14-31(30)35-39-41-42-40-35/h3-8,10-22H,2,9,23-24H2,1H3,(H,39,40,41,42) | | Definition date: | 2017-02-01 | | Last modified: | 2017-03-31 | | Release date: | 2017-04-05 | | Identifier: | N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide |
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 | | 8ES | | Name: | N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide | | Formula: | C36 H29 N7 O2 S | | SMILES: | N4(C(c3c(ccc(N(C(=O)c1cccs1)Cc2ccccc2)c3)N=C4CC)=O)Cc7ccc(c6ccccc6c5nnnn5)cc7 | | InChi: | InChI=1S/C36H29N7O2S/c1-2-33-37-31-19-18-27(42(22-24-9-4-3-5-10-24)36(45)32-13-8-20-46-32)21-30(31)35(44)43(33)23-25-14-16-26(17-15-25)28-11-6-7-12-29(28)34-38-40-41-39-34/h3-21H,2,22-23H2,1H3,(H,38,39,40,41) | | Definition date: | 2017-02-01 | | Last modified: | 2017-03-31 | | Release date: | 2017-04-05 | | Identifier: | N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide |
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 | | 8WV | | Name: | dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium | | Formula: | C10 H10 Cl2 Os | | SMILES: | CC(C6=5C=1[Os]4326(Cl)(C=1C2(C)=C3C4=5)Cl)C | | InChi: | InChI=1S/C10H10.2ClH.Os/c1-8(2)10-6-4-9(3)5-7-10 | | Definition date: | 2017-03-14 | | Last modified: | 2017-03-28 | | Release date: | 2017-04-02 | | Identifier: | dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium |
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 | | 77W | | Name: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | | Formula: | C25 H22 F N O3 | | SMILES: | c4c(cc3CCN(c1ccc(cc1)F)C(C)(c2ccc(cc2)[C@H]=[C@H]C(O)=O)c3c4)O | | InChi: | InChI=1S/C25H22FNO3/c1-25(19-5-2-17(3-6-19)4-13-24(29)30)23-12-11-22(28)16-18(23)14-15-27(25)21-9-7-20(26)8-10-21/h2-13,16,28H,14-15H2,1H3,(H,29,30)/b13-4+/t25-/m1/s1 | | Definition date: | 2016-09-09 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid |
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 | | 782 | | Name: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | Formula: | C28 H29 N O3 | | SMILES: | c3c(cc2CCN(C(c1ccc(cc1)[C@H]=[C@H]C(=O)O)(C)c2c3)c4ccc(cc4)C(C)C)O | | InChi: | InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+/t28-/m1/s1 | | Definition date: | 2016-09-12 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid |
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 | | 6E1 | | Name: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside | | Formula: | C28 H28 F8 N2 O12 S | | SMILES: | c4(c(OC)c(F)c(c(C(NC3C(C(SC2C(C(NC(c1c(F)c(c(OC)c(F)c1F)F)=O)C(O)C(O2)CO)O)OC(C3O)CO)O)=O)c4F)F)F | | InChi: | InChI=1S/C28H28F8N2O12S/c1-47-23-13(33)9(29)7(10(30)14(23)34)25(45)37-17-19(41)5(3-39)49-27(21(17)43)51-28-22(44)18(20(42)6(4-40)50-28)38-26(46)8-11(31)15(35)24(48-2)16(36)12(8)32/h5-6,17-22,27-28,39-44H,3-4H2,1-2H3,(H,37,45)(H,38,46)/t5-,6-,17+,18+,19+,20+,21-,22-,27+,28+/m1/s1 | | Definition date: | 2016-03-18 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside |
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 | | 6E3 | | Name: | 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione | | Formula: | C10 H12 N2 O2 | | SMILES: | O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C | | InChi: | InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3 | | Definition date: | 2016-03-19 | | Last modified: | 2017-03-24 | | Release date: | 2017-03-29 | | Identifier: | 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione |
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 | | RPQ | | Name: | D-rhamnopyranose tetrazole | | Formula: | C6 H10 N4 O3 | | SMILES: | C[CH]1[CH](O)[CH](O)[CH](O)c2nnnn12 | | InChi: | InChI=1S/C6H10N4O3/c1-2-3(11)4(12)5(13)6-7-8-9-10(2)6/h2-5,11-13H,1H3/t2-,3-,4+,5+/m0/s1 | | Definition date: | 2016-12-20 | | Last modified: | 2017-03-17 | | Release date: | 2017-03-22 | | Identifier: | (5~{S},6~{S},7~{R},8~{S})-5-methyl-5,6,7,8-tetrahydro-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol |
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 | | LD6 | | Name: | N-(6-Amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide | | Formula: | C18 H17 F N4 O4 S | | SMILES: | CN(C1=C(N)N(Cc2cccc(F)c2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 | | InChi: | InChI=1S/C18H17FN4O4S/c1-22(28(26,27)14-8-3-2-4-9-14)15-16(20)23(18(25)21-17(15)24)11-12-6-5-7-13(19)10-12/h2-10H,11,20H2,1H3,(H,21,24,25) | | Definition date: | 2016-03-07 | | Last modified: | 2017-03-17 | | Release date: | 2017-03-22 | | Identifier: | N-[6-azanyl-1-[(3-fluorophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzenesulfonamide |
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 | | 6D3 | | Name: | (2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) | | Formula: | C22 H33 N11 O7 | | SMILES: | O=C(O)C(N)CCN(CC1OC(C(O)C1O)n2cnc3c2ncnc3N)CCCn4nnc(c4)CC(C(O)=O)N | | InChi: | InChI=1S/C22H33N11O7/c23-12(21(36)37)2-5-31(3-1-4-32-7-11(29-30-32)6-13(24)22(38)39)8-14-16(34)17(35)20(40-14)33-10-28-15-18(25)26-9-27-19(15)33/h7,9-10,12-14,16-17,20,34-35H,1-6,8,23-24H2,(H,36,37)(H,38,39)(H2,25,26,27)/t12-,13-,14+,16+,17+,20+/m0/s1 | | Definition date: | 2016-03-16 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | (2S)-2-amino-4-[(3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-1,2,3-triazol-1-yl}propyl){[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}amino]butanoic acid (non-preferred name) |
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 | | 8S4 | | Name: | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole | | Formula: | C9 H10 N4 O | | SMILES: | n2(Cc1ccc(OC)cc1)cnnn2 | | InChi: | InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3 | | Definition date: | 2017-03-03 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | 1-[(4-methoxyphenyl)methyl]-1H-tetrazole |
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 | | 8UG | | Name: | ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate | | Formula: | C10 H14 N2 O2 | | SMILES: | n2cc1c(CCC(C1)C(OCC)=O)n2 | | InChi: | InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1 | | Definition date: | 2017-03-03 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | ethyl (5S)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate |
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 | | 8N7 | | Name: | 6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide | | Formula: | C25 H30 N6 O3 | | SMILES: | C(c4nc(C(Nc1c(cc(cc1)c2nnnn2)OC3CCOCC3)=O)ccc4)C5CCCCC5 | | InChi: | InChI=1S/C25H30N6O3/c32-25(22-8-4-7-19(26-22)15-17-5-2-1-3-6-17)27-21-10-9-18(24-28-30-31-29-24)16-23(21)34-20-11-13-33-14-12-20/h4,7-10,16-17,20H,1-3,5-6,11-15H2,(H,27,32)(H,28,29,30,31) | | Definition date: | 2017-02-21 | | Last modified: | 2017-03-10 | | Release date: | 2017-03-15 | | Identifier: | 6-(cyclohexylmethyl)-N-{2-[(oxan-4-yl)oxy]-4-(1H-tetrazol-5-yl)phenyl}pyridine-2-carboxamide |
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