 | | HJ1 | | Name: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide | | Formula: | C11 H16 N2 O3 | | SMILES: | C(N)CC(NCCc1cc(c(cc1)O)O)=O | | InChi: | InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16) | | Synonyms: | beta-alanyl-dopamine | | Definition date: | 2018-07-03 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-30 | | Identifier: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
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 | | C4M | | Name: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | | Formula: | C20 H28 N2 O4 S | | SMILES: | O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2 | | InChi: | InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-09 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide |
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 | | C5R | | Name: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid | | Formula: | C31 H38 N2 O3 | | SMILES: | CC(C)c1ccc2c(CC[CH]3[C](C)(CCC[C]23C)C(=O)N[CH](Cc4c[nH]c5ccccc45)C(O)=O)c1 | | InChi: | InChI=1S/C31H38N2O3/c1-19(2)20-10-12-24-21(16-20)11-13-27-30(24,3)14-7-15-31(27,4)29(36)33-26(28(34)35)17-22-18-32-25-9-6-5-8-23(22)25/h5-6,8-10,12,16,18-19,26-27,32H,7,11,13-15,17H2,1-4H3,(H,33,36)(H,34,35)/t26-,27+,30+,31+/m0/s1 | | Synonyms: | N-Dehydroabietoyl-L-Tryptophan | | Definition date: | 2019-04-10 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-18 | | Identifier: | (2~{S})-2-[[(1~{R},4~{a}~{S},10~{a}~{R})-1,4~{a}-dimethyl-7-propan-2-yl-2,3,4,9,10,10~{a}-hexahydrophenanthren-1-yl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid |
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 | | C6F | | Name: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide | | Formula: | C29 H44 N8 O3 | | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(CC3)N4CCN(C)CC4)c(OC)c2)nc1NC5CCOCC5 | | InChi: | InChI=1S/C29H44N8O3/c1-4-23-28(31-20-9-17-40-18-10-20)34-29(26(33-23)27(30)38)32-21-5-6-24(25(19-21)39-3)37-11-7-22(8-12-37)36-15-13-35(2)14-16-36/h5-6,19-20,22H,4,7-18H2,1-3H3,(H2,30,38)(H2,31,32,34) | | Synonyms: | gilteritinib | | Definition date: | 2019-04-10 | | Last modified: | 2021-03-01 | | Release date: | 2019-11-20 | | Identifier: | 6-ethyl-3-[[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide |
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 | | HL0 | | Name: | N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide | | Formula: | C14 H25 N O3 | | SMILES: | O=C1OCCC1NC(=O)CCCCCCCCC | | InChi: | InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1 | | Synonyms: | N-decanoyl-L-homoserine lactone | | Definition date: | 2011-02-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide |
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 | | C6P | | Name: | N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Formula: | C11 H17 N2 O7 P S | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CS | | InChi: | InChI=1S/C11H17N2O7PS/c1-6-10(14)8(3-13-9(5-22)11(15)16)7(2-12-6)4-20-21(17,18)19/h2,9,13-14,22H,3-5H2,1H3,(H,15,16)(H2,17,18,19)/t9-/m0/s1 | | Synonyms: | 4-((1-CARBOXY-2-THIOL-ETHYLAMINO)-METHYL)-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM | | Definition date: | 2006-09-22 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-cysteine |
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 | | C7G | | Name: | [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Formula: | C25 H36 N10 O23 P4 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O[CH]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O)[CH]3O | | InChi: | InChI=1S/C25H36N10O23P4/c26-19-11-21(30-4-28-19)34(6-32-11)23-16(39)13(36)8(53-23)1-51-61(46,47)58-62(48,49)52-2-9-14(37)17(40)25(55-9)56-18-15(38)10(3-50-60(44,45)57-59(41,42)43)54-24(18)35-7-33-12-20(27)29-5-31-22(12)35/h4-10,13-18,23-25,36-40H,1-3H2,(H,44,45)(H,46,47)(H,48,49)(H2,26,28,30)(H2,27,29,31)(H2,41,42,43)/t8-,9+,10-,13+,14-,15+,16+,17+,18+,23+,24+,25+/m1/s1 | | Synonyms: | DIADPR | | Definition date: | 2017-09-15 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-09 | | Identifier: | [(2~{R},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{S},4~{S},5~{S})-5-[[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | | HM6 | | Name: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid | | Formula: | C10 H8 N4 O5 | | SMILES: | O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O | | InChi: | InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19) | | Synonyms: | HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID | | Definition date: | 2012-09-13 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-09 | | Identifier: | 4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid |
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 | | C7R | | Name: | 2'-deoxy-5'-O-thiophosphonocytidine | | Formula: | C9 H14 N3 O6 P S | | SMILES: | P(S)(O)(OCC1OC(CC1O)N2C=CC(=NC2=O)N)=O | | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | | Synonyms: | 2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 1) | | Definition date: | 2016-04-28 | | Last modified: | 2021-03-01 | | Release date: | 2016-06-22 | | Identifier: | 2'-deoxy-5'-O-thiophosphonocytidine |
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 | | C7S | | Name: | 2'-deoxy-5'-O-thiophosphonocytidine | | Formula: | C9 H14 N3 O6 P S | | SMILES: | P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S | | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | | Synonyms: | 2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2) | | Definition date: | 2016-04-28 | | Last modified: | 2021-03-01 | | Release date: | 2016-06-22 | | Identifier: | 2'-deoxy-5'-O-thiophosphonocytidine |
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 | | HMD | | Name: | 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE | | Formula: | C11 H10 Br N5 O2 | | SMILES: | O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N | | InChi: | InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1 | | Synonyms: | HYMENIALDISINE | | Definition date: | 1999-12-16 | | Last modified: | 2021-03-01 | | Identifier: | (3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one |
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 | | HMG | | Name: | 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A | | Formula: | C27 H39 N7 O20 P3 S | | SMILES: | [O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O | | InChi: | InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1 | | Synonyms: | (S)-HMG-COA | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name) |
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 | | C8V | | Name: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide | | Formula: | C13 H23 N5 O7 S | | SMILES: | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCCC2)=O)(O)=O | | InChi: | InChI=1S/C13H23N5O7S/c19-8-18-7-10(17-25-26(22,23)24)3-4-11(18)13(21)16-15-12(20)9-2-1-5-14-6-9/h8-11,14,17H,1-7H2,(H,15,20)(H,16,21)(H,22,23,24)/t9-,10-,11+/m1/s1 | | Synonyms: | OPEN FORM - Zidebactam | | Definition date: | 2017-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
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 | | C8Y | | Name: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile | | Formula: | C7 H11 N3 O5 S | | SMILES: | O=S(O)(=O)ONC1CCC(C#N)N(C=O)C1 | | InChi: | InChI=1S/C7H11N3O5S/c8-3-7-2-1-6(4-10(7)5-11)9-15-16(12,13)14/h5-7,9H,1-2,4H2,(H,12,13,14)/t6-,7+/m1/s1 | | Synonyms: | open form - WCK 4234 | | Definition date: | 2017-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile |
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 | | C93 | | Name: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid | | Formula: | C13 H15 N O5 | | SMILES: | O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O | | InChi: | InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19) | | Synonyms: | 3-(4-hydroxypiperidine-1-yl) phthalic acid | | Definition date: | 2014-08-19 | | Last modified: | 2021-03-01 | | Release date: | 2014-10-15 | | Identifier: | 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid |
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 | | C9C | | Name: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid | | Formula: | C10 H10 O5 | | SMILES: | OCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13) | | Synonyms: | monohydroxyethyl terephthalate | | Definition date: | 2019-04-16 | | Last modified: | 2021-03-01 | | Release date: | 2020-04-15 | | Identifier: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid |
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 | | C9D | | Name: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide | | Formula: | C12 H21 N5 O7 S | | SMILES: | O=S(ONC1CN(C=O)C(CC1)C(=O)NNC(C2CNCC2)=O)(O)=O | | InChi: | InChI=1S/C12H21N5O7S/c18-7-17-6-9(16-24-25(21,22)23)1-2-10(17)12(20)15-14-11(19)8-3-4-13-5-8/h7-10,13,16H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/t8-,9-,10+/m1/s1 | | Synonyms: | open form - WCK 5153 | | Definition date: | 2017-09-20 | | Last modified: | 2021-03-01 | | Release date: | 2018-08-01 | | Identifier: | (2S,5R)-1-formyl-N'-[(3R)-pyrrolidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide |
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 | | C9P | | Name: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid | | Formula: | C17 H14 B N O8 S3 | | SMILES: | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3 | | InChi: | InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21) | | Synonyms: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID | | Definition date: | 2007-12-20 | | Last modified: | 2021-03-01 | | Identifier: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid |
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 | | U04 | | Name: | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-3-YL)-PROPYL]-PHENYLCARBAMOYL}-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | | Formula: | C25 H28 N2 O6 | | SMILES: | O=C(OC(C)(C)C)NCC(=O)Nc1cccc(c1)C(C2=C(O)c3c(OC2=O)cccc3)CC | | InChi: | InChI=1S/C25H28N2O6/c1-5-17(21-22(29)18-11-6-7-12-19(18)32-23(21)30)15-9-8-10-16(13-15)27-20(28)14-26-24(31)33-25(2,3)4/h6-13,17,29H,5,14H2,1-4H3,(H,26,31)(H,27,28)/t17-/m0/s1 | | Synonyms: | U097410 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | tert-butyl [2-({3-[(1S)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)propyl]phenyl}amino)-2-oxoethyl]carbamate |
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 | | U05 | | Name: | 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE | | Formula: | C15 H14 N4 O3 | | SMILES: | [O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C | | InChi: | InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3 | | Synonyms: | 1051U91 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 11-ethyl-6-methyl-9-nitro-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-5-one |
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 | | CAC | | Name: | CACODYLATE ION | | Formula: | C2 H6 As O2 | | SMILES: | [O-][As](=O)(C)C | | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1 | | Synonyms: | dimethylarsinate | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | dimethylarsinate |
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 | | U16 | | Name: | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE | | Formula: | C22 H35 N3 O5 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C | | InChi: | InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1 | | Synonyms: | 2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER | | Definition date: | 2006-04-03 | | Last modified: | 2021-03-01 | | Identifier: | methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate |
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 | | U1K | | Name: | (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID | | Formula: | C10 H16 N2 O3 S | | SMILES: | [O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C | | InChi: | InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1 | | Synonyms: | THIO-ATPA | | Definition date: | 2003-08-05 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate |
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 | | CCA | | Name: | 2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER | | Formula: | C17 H22 N O4 | | SMILES: | O=C(OC)C3C1[NH+](C)C(CC1)CC3OC(=O)c2ccccc2 | | InChi: | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1 | | Synonyms: | COCAINE | | Definition date: | 2001-04-12 | | Last modified: | 2021-03-01 | | Identifier: | (1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane |
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 | | CCX | | Name: | 3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide | | Formula: | C28 H28 N6 O | | SMILES: | N#Cc2c1cccc(c1nc2)C(=O)NC5CCN(CCCCc4c3cc(C#N)ccc3nc4)CC5 | | InChi: | InChI=1S/C28H28N6O/c29-15-19-7-8-26-25(14-19)20(17-31-26)4-1-2-11-34-12-9-22(10-13-34)33-28(35)24-6-3-5-23-21(16-30)18-32-27(23)24/h3,5-8,14,17-18,22,31-32H,1-2,4,9-13H2,(H,33,35) | | Synonyms: | 3-Cyano-1H-indole-7-carboxylic acid {1-[4-(5-cyano-1H-indol-3-yl)-butyl]-piperidin-4-yl}-amide | | Definition date: | 2010-03-04 | | Last modified: | 2021-03-01 | | Identifier: | 3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide |
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