 | | R3S | | Name: | RESVERATROL-3-O-SULFATE | | Formula: | C14 H12 O6 S | | SMILES: | Oc1ccc(cc1)C=Cc2cc(O)cc(O[S](O)(=O)=O)c2 | | InChi: | InChI=1S/C14H12O6S/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(8-11)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)/b2-1+ | | Definition date: | 2015-03-06 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | [3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenyl] hydrogen sulfate |
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 | | R3X | | Name: | Resveratrol-3-O-glucuronide | | Formula: | C20 H20 O9 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2 | | InChi: | InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1 | | Definition date: | 2015-03-05 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (2S,3S,4S,5R,6S)-6-[3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-oxidanyl-phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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 | | R4G | | Name: | Resveratrol-4'-O-glucuronide | | Formula: | C20 H20 O9 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc(cc2)C=Cc3cc(O)cc(O)c3 | | InChi: | InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1 | | Definition date: | 2015-03-05 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (2S,3S,4S,5R,6S)-6-[4-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]phenoxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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 | | SDO | | Name: | N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide | | Formula: | C19 H35 N2 O8 P S | | SMILES: | O=C(NCCSCCC(=O)CCCC(=O)C)CCNC(=O)C(O)C(C)(C)COP(O)O | | InChi: | InChI=1S/C19H35N2O8PS/c1-14(22)5-4-6-15(23)8-11-31-12-10-20-16(24)7-9-21-18(26)17(25)19(2,3)13-29-30(27)28/h17,25,27-28H,4-13H2,1-3H3,(H,20,24)(H,21,26)/t17-/m1/s1 | | Definition date: | 2014-10-16 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | N~3~-{(2S)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-{2-[(3,7-dioxooctyl)sulfanyl]ethyl}-beta-alaninamide |
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 | | N77 | | Name: | 7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide | | Formula: | C15 H11 F3 N4 O3 S | | SMILES: | FC(F)(F)c3cc1c(sc([n+]1[O-])C(=O)NCc2cccnc2)c(c3)NO | | InChi: | InChI=1S/C15H11F3N4O3S/c16-15(17,18)9-4-10(21-24)12-11(5-9)22(25)14(26-12)13(23)20-7-8-2-1-3-19-6-8/h1-6,21,24H,7H2,(H,20,23) | | Definition date: | 2014-06-03 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide |
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 | | RF4 | | Name: | (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid | | Formula: | C19 H20 N2 O3 S | | SMILES: | c1(c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C | | InChi: | InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23) | | Definition date: | 2015-03-06 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid |
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 | | 5G8 | | Name: | 1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole | | Formula: | C14 H16 Cl2 N2 O | | SMILES: | c2(OCCCCCn1ccnc1)c(Cl)cc(cc2)Cl | | InChi: | InChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2 | | Definition date: | 2015-09-22 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 1-[5-(2,4-dichlorophenoxy)pentyl]-1H-imidazole |
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 | | 5KH | | Name: | N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | | Formula: | C25 H19 F3 N2 O3 | | SMILES: | c1cc(C(F)(F)F)cc(c1)C(N(c2cn(C(C)=O)c3c2cccc3)c4cc(ccc4C)O)=O | | InChi: | InChI=1S/C25H19F3N2O3/c1-15-10-11-19(32)13-22(15)30(24(33)17-6-5-7-18(12-17)25(26,27)28)23-14-29(16(2)31)21-9-4-3-8-20(21)23/h3-14,32H,1-2H3 | | Definition date: | 2015-10-12 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide |
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 | | 3LK | | Name: | BC-3205 | | Formula: | C32 H54 N2 O5 S | | SMILES: | O=C(N4CCCC(SCC(=O)OC3CC(C)(CC)C(O)C(C)C21CCC(=O)C1C3(C)C(C)CC2)C4)C(N)C(C)C | | InChi: | InChI=1S/C32H54N2O5S/c1-8-30(6)16-24(31(7)20(4)11-13-32(21(5)28(30)37)14-12-23(35)27(31)32)39-25(36)18-40-22-10-9-15-34(17-22)29(38)26(33)19(2)3/h19-22,24,26-28,37H,8-18,33H2,1-7H3/t20-,21+,22+,24-,26+,27+,28+,30-,31+,32+/m1/s1 | | Definition date: | 2014-09-16 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[(3S)-1-(L-valyl)piperidin-3-yl]sulfanyl}acetate |
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 | | 4SQ | | Name: | tetraglycine phosphinate | | Formula: | C8 H16 N3 O6 P | | SMILES: | C(O)(CNC(CCP(CNC(CN)=O)(O)=O)=O)=O | | InChi: | InChI=1S/C8H16N3O6P/c9-3-7(13)11-5-18(16,17)2-1-6(12)10-4-8(14)15/h1-5,9H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17) | | Definition date: | 2015-05-21 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | N-{3-[(R)-[(glycylamino)methyl](hydroxy)phosphoryl]propanoyl}glycine |
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 | | 51M | | Name: | (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid | | Formula: | C25 H28 N2 O4 S | | SMILES: | c1c(c3ccccc3c(c1)N2CC(CC2)C(O)=O)NS(c4c(C)c(C)cc(c4C)C)(=O)=O | | InChi: | InChI=1S/C25H28N2O4S/c1-15-13-16(2)18(4)24(17(15)3)32(30,31)26-22-9-10-23(21-8-6-5-7-20(21)22)27-12-11-19(14-27)25(28)29/h5-10,13,19,26H,11-12,14H2,1-4H3,(H,28,29)/t19-/m0/s1 | | Definition date: | 2015-07-10 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid |
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 | | G7G | | Name: | Genistein-7-O-glucuronide | | Formula: | C21 H18 O11 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2cc(O)c3c(OC=C(C3=O)c4ccc(O)cc4)c2 | | InChi: | InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 | | Definition date: | 2015-03-17 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (2S,3S,4S,5R,6S)-6-[3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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 | | 2R2 | | Name: | [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone | | Formula: | C17 H19 F3 N4 O4 S | | SMILES: | FC(F)(F)c1cc2nc(sc2c(c1C)[N+]([O-])=O)C(=O)N3CCN(CCOC)CC3 | | InChi: | InChI=1S/C17H19F3N4O4S/c1-10-11(17(18,19)20)9-12-14(13(10)24(26)27)29-15(21-12)16(25)23-5-3-22(4-6-23)7-8-28-2/h9H,3-8H2,1-2H3 | | Definition date: | 2014-05-01 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | [4-(2-methoxyethyl)piperazin-1-yl][6-methyl-7-nitro-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methanone |
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 | | 4MG | | Name: | 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol | | Formula: | C23 H27 N7 O | | SMILES: | n1c(nc(cc1)n2nc(c(c2)CN3CC(O)C3)C)Nc5cc4c(c(n(c4cc5)C)C)C | | InChi: | InChI=1S/C23H27N7O/c1-14-16(3)28(4)21-6-5-18(9-20(14)21)25-23-24-8-7-22(26-23)30-11-17(15(2)27-30)10-29-12-19(31)13-29/h5-9,11,19,31H,10,12-13H2,1-4H3,(H,24,25,26) | | Definition date: | 2014-11-18 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol |
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 | | D75 | | Name: | DAIDZEIN-7-O-GLUCURONIDE | | Formula: | C21 H18 O10 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc3c(OC=C(C3=O)c4ccc(O)cc4)c2 | | InChi: | InChI=1S/C21H18O10/c22-10-3-1-9(2-4-10)13-8-29-14-7-11(5-6-12(14)15(13)23)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1 | | Definition date: | 2015-03-09 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (2S,3S,4S,5R,6S)-6-[3-(4-hydroxyphenyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
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 | | DGV | | Name: | 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide | | Formula: | C26 H33 Cl2 N3 O | | SMILES: | Clc1cccc(Cl)c1C2CCN(CC2)CCCNC(=O)C3CCCN3Cc4ccccc4 | | InChi: | InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1 | | Definition date: | 2015-09-11 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | 1-benzyl-N-{3-[4-(2,6-dichlorophenyl)piperidin-1-yl]propyl}-D-prolinamide |
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 | | DGW | | Name: | (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol | | Formula: | C24 H29 Cl2 N O | | SMILES: | Clc1cccc(Cl)c1C2CCN(CC2)CC4CC(O)c3cccc(c3CC4)C | | InChi: | InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3/t17-,23-/m0/s1 | | Definition date: | 2015-09-11 | | Last modified: | 2015-10-16 | | Release date: | 2015-10-21 | | Identifier: | (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol |
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 | | P3B | | Name: | (3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid | | Formula: | C15 H19 N2 O9 P | | SMILES: | OP(O)(=O)OCC1=CNC(C)=C(C1=[C@H]N=C2/C=C(C(O)=O)CC(C2O)O)O | | InChi: | InChI=1S/C15H19N2O9P/c1-7-13(19)10(9(4-16-7)6-26-27(23,24)25)5-17-11-2-8(15(21)22)3-12(18)14(11)20/h2,4-5,12,14,16,18-20H,3,6H2,1H3,(H,21,22)(H2,23,24,25)/b10-5-,17-11+/t12-,14-/m1/s1 | | Definition date: | 2015-05-15 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | (3E,4R,5R)-4,5-dihydroxy-3-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}cyclohex-1-ene-1-carboxylic acid |
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 | | 5U1 | | Name: | 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium | | Formula: | C9 H14 N5 O | | SMILES: | n1c(OC(C)C)c(c[n+]2nc(N)nc12)C | | InChi: | InChI=1S/C9H13N5O/c1-5(2)15-7-6(3)4-14-9(11-7)12-8(10)13-14/h4-5H,1-3H3,(H2,10,13)/p+1 | | Definition date: | 2014-12-04 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium |
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 | | XBR | | Name: | 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid | | Formula: | C20 H19 Cl N2 O2 | | SMILES: | OC(=O)CCN1CCc2c([nH]c3ccccc23)[CH]1c4ccc(Cl)cc4 | | InChi: | InChI=1S/C20H19ClN2O2/c21-14-7-5-13(6-8-14)20-19-16(9-11-23(20)12-10-18(24)25)15-3-1-2-4-17(15)22-19/h1-8,20,22H,9-12H2,(H,24,25)/t20-/m1/s1 | | Definition date: | 2015-07-28 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 3-[(1R)-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoic acid |
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 | | SAJ | | Name: | (2S,3S,4R,5S,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,4-bis(oxidanyl)oxane-2-carboxylic acid | | Formula: | C17 H25 N3 O18 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O | | InChi: | InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8+,9-,10-,11+,12-,13+,14-,16-/m1/s1 | | Definition date: | 2014-08-14 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | (2S,3S,4R,5S,6R)-5-(acetylamino)-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | LBR | | Name: | (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate | | Formula: | C30 H57 Br O5 | | SMILES: | BrCCCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCC)=O)CO | | InChi: | InChI=1S/C30H57BrO5/c1-2-3-4-5-6-7-8-12-15-18-21-24-30(34)36-28(26-32)27-35-29(33)23-20-17-14-11-9-10-13-16-19-22-25-31/h28,32H,2-27H2,1H3/t28-/m0/s1 | | Definition date: | 2015-03-12 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | (2S)-1-[(13-bromotridecanoyl)oxy]-3-hydroxypropan-2-yl tetradecanoate |
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 | | 9MJ | | Name: | 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide | | Formula: | C7 H7 N5 O2 | | SMILES: | O=C(n1nc(nc1N)c2occc2)N | | InChi: | InChI=1S/C7H7N5O2/c8-6-10-5(4-2-1-3-14-4)11-12(6)7(9)13/h1-3H,(H2,9,13)(H2,8,10,11) | | Definition date: | 2014-12-05 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide |
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 | | 686 | | Name: | N-({(1S)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid | | Formula: | C60 H59 Br N8 O14 | | SMILES: | O=C(O)C(NC(=O)NC(C(=O)O)CCCCN(C(=O)c1ccc(nc1)N8CCN(c2ccc(cc2)N7CCN(C(=O)c6cc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c(C(=O)O)cc6)CC7)CC8)Cc9ccc(Br)cc9)CCC(=O)O | | InChi: | InChI=1S/C60H59BrN8O14/c61-39-8-4-36(5-9-39)35-69(22-2-1-3-48(58(78)79)63-60(82)64-49(59(80)81)19-21-53(72)73)56(75)38-7-20-52(62-34-38)67-27-23-65(24-28-67)40-10-12-41(13-11-40)66-25-29-68(30-26-66)55(74)37-6-16-44(57(76)77)47(31-37)54-45-17-14-42(70)32-50(45)83-51-33-43(71)15-18-46(51)54/h4-18,20,31-34,48-49,70H,1-3,19,21-30,35H2,(H,72,73)(H,76,77)(H,78,79)(H,80,81)(H2,63,64,82)/t48-,49-/m0/s1 | | Definition date: | 2014-12-02 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | N-({(1S)-5-[(4-bromobenzyl)({6-[4-(4-{4-[4-carboxy-3-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoyl]piperazin-1-yl}phenyl)piperazin-1-yl]pyridin-3-yl}carbonyl)amino]-1-carboxypentyl}carbamoyl)-L-glutamic acid |
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 | | 57J | | Name: | 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one | | Formula: | C24 H25 N3 O3 | | SMILES: | N1(CCC2(CC1)Oc3cc(C)c(cc3C(=O)C2)C)C(c4cc(c5c(c4)cnn5)C)=O | | InChi: | InChI=1S/C24H25N3O3/c1-14-9-19-20(28)12-24(30-21(19)10-15(14)2)4-6-27(7-5-24)23(29)17-8-16(3)22-18(11-17)13-25-26-22/h8-11,13H,4-7,12H2,1-3H3,(H,25,26) | | Definition date: | 2015-08-07 | | Last modified: | 2015-10-09 | | Release date: | 2015-10-14 | | Identifier: | 6,7-dimethyl-1'-[(7-methyl-1H-indazol-5-yl)carbonyl]spiro[chromene-2,4'-piperidin]-4(3H)-one |
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