 | | CM9 | | Name: | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | | Formula: | C18 H27 N3 O2 S | | SMILES: | O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)CCSC | | InChi: | InChI=1S/C18H27N3O2S/c1-13-3-5-14(6-4-13)17(22)21-16(9-12-24-2)18(23)20-15-7-10-19-11-8-15/h7-8,10-11,13-14,16H,3-6,9,12H2,1-2H3,(H,21,22)(H,19,20,23)/t13-,14+,16-/m0/s1 | | Definition date: | 2008-08-12 | | Last modified: | 2011-06-04 | | Identifier: | cis-4-methyl-N-[(1S)-3-(methylsulfanyl)-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide |
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 | | CMD | | Name: | 3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-DOXORUBICIN | | Formula: | C32 H34 N2 O12 | | SMILES: | N#CC6N(C5C(O)C(OC(OC4c3c(O)c2C(=O)c1c(OC)cccc1C(=O)c2c(O)c3CC(O)(C(=O)CO)C4)C5)C)CCOC6 | | InChi: | InChI=1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3/t14-,15-,18-,20-,22-,27+,32-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-[(3S)-3-cyanomorpholin-4-yl]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside |
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 | | CMF | | Name: | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | | Formula: | C27 H30 N2 O4 | | SMILES: | O=C(N1CCOCC1)Cn4c2cc(C(=O)O)ccc2c(c4c3ccccc3)C5CCCCC5 | | InChi: | InChI=1S/C27H30N2O4/c30-24(28-13-15-33-16-14-28)18-29-23-17-21(27(31)32)11-12-22(23)25(19-7-3-1-4-8-19)26(29)20-9-5-2-6-10-20/h2,5-6,9-12,17,19H,1,3-4,7-8,13-16,18H2,(H,31,32) | | Definition date: | 2005-05-06 | | Last modified: | 2011-06-04 | | Identifier: | 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-6-carboxylic acid |
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 | | CMJ | | Name: | (20S)-20-methyldotetracontane | | Formula: | C43 H88 | | SMILES: | C(CCCCCCCC(C)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C43H88/c1-4-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-40-42-43(3)41-39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-5-2/h43H,4-42H2,1-3H3/t43-/m0/s1 | | Definition date: | 2008-12-31 | | Last modified: | 2011-06-04 | | Identifier: | 20-methyldotetracontane |
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 | | CMM | | Name: | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER | | Formula: | C30 H35 N5 O6 | | SMILES: | O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C1)Cc2ccc(cc2)CCc3cccc4c3ncc4C(=O)C(=O)O | | InChi: | InChI=1S/C30H35N5O6/c1-41-29(40)24(34-25(36)15-20-4-3-13-35(17-20)30(31)32)14-19-9-7-18(8-10-19)11-12-21-5-2-6-22-23(16-33-26(21)22)27(37)28(38)39/h2,5-10,16,20,24,33H,3-4,11-15,17H2,1H3,(H3,31,32)(H,34,36)(H,38,39)/t20-,24+/m1/s1 | | Definition date: | 2002-07-23 | | Last modified: | 2011-06-04 | | Identifier: | [7-(2-{4-[(2S)-2-({[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid |
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 | | CMR | | Name: | 2'-DEOXY-CYTIDINE-5'-RP-MONOMETHYLPHOSPHONATE | | Formula: | C10 H16 N3 O6 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)C | | InChi: | InChI=1S/C10H16N3O6P/c1-20(16,17)18-5-7-6(14)4-9(19-7)13-3-2-8(11)12-10(13)15/h2-3,6-7,9,14H,4-5H2,1H3,(H,16,17)(H2,11,12,15)/t6-,7+,9+/m0/s1 | | Definition date: | 2001-10-09 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]cytidine |
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 | | CMV | | Name: | (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C22 H29 N5 O6 S | | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C(=O)C(=O)N(CC)CC3 | | InChi: | InChI=1S/C22H29N5O6S/c1-4-26-10-11-27(20(31)19(26)30)25-15(13-8-6-5-7-9-13)17(29)23-14(12-28)18-24-16(21(32)33)22(2,3)34-18/h5-9,12,14-16,18,24-25H,4,10-11H2,1-3H3,(H,23,29)(H,32,33)/t14-,15-,16+,18-/m1/s1 | | Definition date: | 2009-07-02 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4S)-2-[(1R)-1-({(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)amino]-2-phenylacetyl}amino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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 | | CMW | | Name: | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate | | Formula: | C16 H19 N3 O4 S | | SMILES: | O=C(OCCCNS(=O)(=O)c1ccc(cc1)C)Nc2ccncc2 | | InChi: | InChI=1S/C16H19N3O4S/c1-13-3-5-15(6-4-13)24(21,22)18-9-2-12-23-16(20)19-14-7-10-17-11-8-14/h3-8,10-11,18H,2,9,12H2,1H3,(H,17,19,20) | | Definition date: | 2008-08-12 | | Last modified: | 2011-06-04 | | Identifier: | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate |
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 | | CMY | | Name: | (6-AMINOHEXYL)CARBAMIC ACID | | Formula: | C7 H16 N2 O2 | | SMILES: | O=C(O)NCCCCCCN | | InChi: | InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11) | | Definition date: | 2006-05-16 | | Last modified: | 2011-06-04 | | Identifier: | (6-aminohexyl)carbamic acid |
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 | | CN6 | | Name: | (2R,5R,11S,14R)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate | | Formula: | C31 H58 O17 P2 | | SMILES: | O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCC)COC(=O)CCCCCCCCCC)O)COC(=O)CC)CCC | | InChi: | InChI=1S/C31H58O17P2/c1-5-9-10-11-12-13-14-15-18-29(34)42-22-27(48-31(36)17-7-3)24-46-50(39,40)44-20-25(32)19-43-49(37,38)45-23-26(21-41-28(33)8-4)47-30(35)16-6-2/h25-27,32H,5-24H2,1-4H3,(H,37,38)(H,39,40)/t25-,26-,27-/m1/s1 | | Definition date: | 2008-04-30 | | Last modified: | 2011-06-04 | | Identifier: | (2R,5R,11S,14R)-2-(butanoyloxy)-5,8,11-trihydroxy-5,11-dioxido-16-oxo-14-[(propanoyloxy)methyl]-4,6,10,12,15-pentaoxa-5,11-diphosphanonadec-1-yl undecanoate |
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 | | CNI | | Name: | 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile | | Formula: | C9 H2 N4 O4 | | SMILES: | [O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C2C=1 | | InChi: | InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H | | Definition date: | 2007-11-08 | | Last modified: | 2011-06-04 | | Identifier: | 7-nitro-2,3-dioxo-2,3-dihydroquinoxaline-6-carbonitrile |
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 | | CO7 | | Name: | S-{(9R,13R,15S)-17-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl}(2E)-but-2-enethioate | | Formula: | C25 H40 N7 O17 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(OP(=O)(O)O)C3O)/C=C/C | | InChi: | InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-18(35)19(48-50(38,39)40)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1 | | Definition date: | 2007-11-08 | | Last modified: | 2011-06-04 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-but-2-enethioate (non-preferred name) |
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 | | COL | | Name: | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID | | Formula: | C10 H9 N O5 S2 | | SMILES: | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCSC2 | | InChi: | InChI=1S/C10H9NO5S2/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16) | | Definition date: | 2000-06-26 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(carboxycarbonyl)amino]-4,7-dihydro-5H-thieno[2,3-c]thiopyran-3-carboxylic acid |
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 | | COO | | Name: | CROTONYL COENZYME A | | Formula: | C25 H40 N7 O17 P3 S | | SMILES: | O=C(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)/C=C/C | | InChi: | InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1 | | Definition date: | 2006-08-01 | | Last modified: | 2011-06-04 | | Identifier: | S-{(13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} but-2-enethioate (non-preferred name) |
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 | | COR | | Name: | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | | Formula: | C17 H22 N2 O | | SMILES: | OC(C(N)Cc1ccccc1)C(N)Cc2ccccc2 | | InChi: | InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2/t15-,16-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,4-diamino-1,2,4,5-tetradeoxy-1,5-diphenyl-L-arabinitol |
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 | | C | | Name: | CYTIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-cytidylic acid |
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 | | COV | | Name: | (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol | | Formula: | C28 H44 O4 | | SMILES: | OC(CC1CC(OC1)(C)C4CCC3C(=CC=C2/C(=C)C(O)CC(O)C2)CCCC34C)(C)C | | InChi: | InChI=1S/C28H44O4/c1-18-21(13-22(29)14-24(18)30)9-8-20-7-6-12-27(4)23(20)10-11-25(27)28(5)16-19(17-32-28)15-26(2,3)31/h8-9,19,22-25,29-31H,1,6-7,10-17H2,2-5H3/b20-8+,21-9-/t19-,22+,23-,24-,25-,27-,28-/m0/s1 | | Definition date: | 2008-04-11 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol |
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 | | COW | | Name: | Anthraniloyl-coenzyme A | | Formula: | C28 H41 N8 O17 P3 S | | SMILES: | O=C(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)c4ccccc4N | | InChi: | InChI=1S/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34-24(19)36/h3-6,13-14,17,20-22,26,38-39H,7-12,29H2,1-2H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1 | | Definition date: | 2009-04-28 | | Last modified: | 2011-06-04 | | Identifier: | S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-aminobenzenecarbothioate (non-preferred name) |
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 | | CP1 | | Name: | 2-(METHYLAMINO)-ETHYLGLYCINE-CARBONYLMETHYLENE-CYTOSINE | | Formula: | C11 H17 N5 O4 | | SMILES: | O=C1N=C(C=CN1CC(=O)N(CC(=O)O)CCNC)N | | InChi: | InChI=1S/C11H17N5O4/c1-13-3-5-15(7-10(18)19)9(17)6-16-4-2-8(12)14-11(16)20/h2,4,13H,3,5-7H2,1H3,(H,18,19)(H2,12,14,20) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[2-(methylamino)ethyl]glycine |
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 | | CPA | | Name: | 2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE | | Formula: | C19 H25 N8 O9 P | | SMILES: | O=C1N=C(N)C=CN1C5OC(CO)C(OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)CC4O)C5 | | InChi: | InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name) |
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 | | CPD | | Name: | [1-(3-DIMETHYLAMINO-PROPYL)-3-ETHYL-UREIDO]-[4-(2,2,2-TRIFLUORO-ACETYLAMINO)-BENZYL]PHOSPHINIC ACID-2-(2,2-DIHYDRO-ACETYLAMINO)-3-HYDROXY-1-(4-NITROPHENYL)-PROPYL ESTER | | Formula: | C28 H36 Cl2 F3 N6 O8 P | | SMILES: | FC(F)(F)C(=O)Nc1ccc(cc1)CP(=O)(OC(c2ccc(cc2)[N+]([O-])=O)C(NC(=O)C(Cl)Cl)CO)N(C(=O)NCC)CCCN(C)C | | InChi: | InChI=1S/C28H36Cl2F3N6O8P/c1-4-34-27(43)38(15-5-14-37(2)3)48(46,17-18-6-10-20(11-7-18)35-26(42)28(31,32)33)47-23(22(16-40)36-25(41)24(29)30)19-8-12-21(13-9-19)39(44)45/h6-13,22-24,40H,4-5,14-17H2,1-3H3,(H,34,43)(H,35,42)(H,36,41)/t22-,23+,48+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2R)-2-[(dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl (S)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoroacetyl)amino]benzyl}phosphonamidoate |
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 | | CPR | | Name: | 6-CHLOROPURINE RIBOSIDE, 5'-MONOPHOSPHATE | | Formula: | C10 H13 Cl N4 O7 P | | SMILES: | Clc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/p+1/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 6-chloro-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-1-ium |
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 | | CPU | | Name: | N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA | | Formula: | C16 H24 N2 O | | SMILES: | O=C(NC1CCCCC1)NCCCc2ccccc2 | | InChi: | InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19) | | Definition date: | 1999-08-20 | | Last modified: | 2011-06-04 | | Identifier: | 1-cyclohexyl-3-(3-phenylpropyl)urea |
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 | | CPZ | | Name: | 4-(4-CHLOROPHENYL)IMIDAZOLE | | Formula: | C9 H7 Cl N2 | | SMILES: | Clc2ccc(c1cncn1)cc2 | | InChi: | InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12) | | Definition date: | 2004-04-01 | | Last modified: | 2011-06-04 | | Identifier: | 5-(4-chlorophenyl)-1H-imidazole |
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 | | 575 | | Name: | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione | | Formula: | C21 H20 Br N3 O2 | | SMILES: | Brc1ccc2c(c1)/C(C(=O)NC2=O)=C/Nc3ccc(cc3)CN4CCCC4 | | InChi: | InChI=1S/C21H20BrN3O2/c22-15-5-8-17-18(11-15)19(21(27)24-20(17)26)12-23-16-6-3-14(4-7-16)13-25-9-1-2-10-25/h3-8,11-12,23H,1-2,9-10,13H2,(H,24,26,27)/b19-12- | | Definition date: | 2008-04-15 | | Last modified: | 2011-06-04 | | Identifier: | (4Z)-6-bromo-4-({[4-(pyrrolidin-1-ylmethyl)phenyl]amino}methylidene)isoquinoline-1,3(2H,4H)-dione |
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