 | | Y7A | | Name: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone | | Formula: | C27 H33 N7 O4 | | SMILES: | O=C(c1ccc2[NH]nnc2c1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)N(C)C | | InChi: | InChI=1S/C27H33N7O4/c1-32(2)24-10-19(11-25(28-24)38-16-17-5-7-37-8-6-17)27(36)34-14-20-12-33(13-21(20)15-34)26(35)18-3-4-22-23(9-18)30-31-29-22/h3-4,9-11,17,20-21H,5-8,12-16H2,1-2H3,(H,29,30,31) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]{2-(dimethylamino)-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone |
|
 | | A1A1Q | | Name: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide | | Formula: | C28 H26 Cl2 F2 N4 O3 | | SMILES: | O=C(/C=C/c1[NH]cc(C(=O)NC(CC(N)=O)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1CCCCC1 | | InChi: | InChI=1S/C28H26Cl2F2N4O3/c29-17-5-6-18(22(32)13-17)27-19(15-34-23(27)8-9-26(38)36-10-2-1-3-11-36)28(39)35-24(14-25(33)37)16-4-7-21(31)20(30)12-16/h4-9,12-13,15,24,34H,1-3,10-11,14H2,(H2,33,37)(H,35,39)/b9-8+/t24-/m0/s1 | | Definition date: | 2024-08-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide |
|
 | | XTU | | Name: | N'-(3-fluoro-4-{2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfonyl}benzene-1-sulfonyl)-N,N-dimethylmethanimidamide | | Formula: | C29 H35 F4 N7 O5 S2 | | SMILES: | CN(C)/C=N/S(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C29H35F4N7O5S2/c1-20-35-37-40(36-20)18-23-16-24(29(31,32)33)6-4-22(23)5-9-28(41)39-13-10-21(11-14-39)12-15-46(42,43)27-8-7-25(17-26(27)30)47(44,45)34-19-38(2)3/h4,6-8,16-17,19,21H,5,9-15,18H2,1-3H3/b34-19+ | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N'-(3-fluoro-4-{2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfonyl}benzene-1-sulfonyl)-N,N-dimethylmethanimidamide |
|
 | | Y7E | | Name: | (3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide | | Formula: | C26 H29 N7 O6 | | SMILES: | O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NC(CC(=O)NC)c3ccc(cc3)[N+]([O-])=O)C=Nc2cc1 | | InChi: | InChI=1S/C26H29N7O6/c1-17(34)30-9-11-31(12-10-30)20-7-8-22-21(13-20)26(37)32(16-28-22)15-25(36)29-23(14-24(35)27-2)18-3-5-19(6-4-18)33(38)39/h3-8,13,16,23H,9-12,14-15H2,1-2H3,(H,27,35)(H,29,36) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3S)-3-{2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]acetamido}-N-methyl-3-(4-nitrophenyl)propanamide |
|
 | | XFO | | Name: | 1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide | | Formula: | C28 H38 N4 O6 S | | SMILES: | NS(=O)(=O)C1CCN(CC1)C(=O)C1CC=2CN(CC=2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1 | | InChi: | InChI=1S/C28H38N4O6S/c29-39(35,36)24-3-7-31(8-4-24)27(33)20-11-22-15-32(16-23(22)12-20)28(34)21-13-25(19-1-2-19)30-26(14-21)38-17-18-5-9-37-10-6-18/h13-14,18-20,24H,1-12,15-17H2,(H2,29,35,36) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-(2-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-5-carbonyl)piperidine-4-sulfonamide |
|
 | | Y7O | | Name: | N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide | | Formula: | C18 H18 N4 O2 | | SMILES: | CN1C(=O)NN=C1CC(=O)N(Cc1ccccc1)c1ccccc1 | | InChi: | InChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-benzyl-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-phenylacetamide |
|
 | | XU6 | | Name: | (3-chloro-5-cyanophenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C22 H19 Cl N6 O3 | | SMILES: | N#Cc1cc(cc(Cl)c1)COC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C22H19ClN6O3/c23-18-4-13(7-24)3-14(5-18)12-32-22(31)29-10-16-8-28(9-17(16)11-29)21(30)15-1-2-19-20(6-15)26-27-25-19/h1-6,16-17H,8-12H2,(H,25,26,27) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3-chloro-5-cyanophenyl)methyl (3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
|
 | | XFT | | Name: | N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide | | Formula: | C27 H30 Cl2 N6 O3 | | SMILES: | O=C(NC1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1 | | InChi: | InChI=1S/C27H30Cl2N6O3/c28-22-7-5-18(13-23(22)29)15-30-25(36)16-35-17-31-24-8-6-20(14-21(24)26(35)37)33-9-11-34(12-10-33)27(38)32-19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,36)(H,32,38) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-cyclopentyl-4-[3-(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-6-yl]piperazine-1-carboxamide |
|
 | | Y7T | | Name: | 4-[(4-{[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2-fluorobenzonitrile | | Formula: | C25 H23 F N8 O2 | | SMILES: | CC(=O)N1CCN(CC1)c1ccc2N=CN(Cc3cn(Cc4cc(F)c(C#N)cc4)nn3)C(=O)c2c1 | | InChi: | InChI=1S/C25H23FN8O2/c1-17(35)31-6-8-32(9-7-31)21-4-5-24-22(11-21)25(36)33(16-28-24)14-20-15-34(30-29-20)13-18-2-3-19(12-27)23(26)10-18/h2-5,10-11,15-16H,6-9,13-14H2,1H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(4-{[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]methyl}-1H-1,2,3-triazol-1-yl)methyl]-2-fluorobenzonitrile |
|
 | | XUB | | Name: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone | | Formula: | C26 H22 Cl N5 O2 | | SMILES: | Clc1ccc(cc1)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C26H22ClN5O2/c27-22-8-5-17(6-9-22)16-1-3-18(4-2-16)25(33)31-12-20-14-32(15-21(20)13-31)26(34)19-7-10-23-24(11-19)29-30-28-23/h1-11,20-21H,12-15H2,(H,28,29,30) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4'-chloro[1,1'-biphenyl]-4-yl)methanone |
|
 | | XFY | | Name: | (10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | | Formula: | C17 H15 N5 O2 | | SMILES: | COc1cc(cc(OC)c1)Nc1nc2ccccc2n2cnnc12 | | InChi: | InChI=1S/C17H15N5O2/c1-23-12-7-11(8-13(9-12)24-2)19-16-17-21-18-10-22(17)15-6-4-3-5-14(15)20-16/h3-10H,1-2H3,(H,19,20) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (10S)-N-(3,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
|
 | | Y7X | | Name: | 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine | | Formula: | C11 H7 Br F3 N3 | | SMILES: | Brc1nc(cnc1N)c1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C11H7BrF3N3/c12-9-10(16)17-5-8(18-9)6-1-3-7(4-2-6)11(13,14)15/h1-5H,(H2,16,17) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-bromo-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine |
|
 | | XUE | | Name: | N-[(3-chloro-4-cyanophenyl)methyl]-2-{7-[1-(methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl}-N-methylacetamide | | Formula: | C28 H31 Cl N4 O4 | | SMILES: | O=C(COC)N1CCC(CC1)c1ccc2CCN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1 | | InChi: | InChI=1S/C28H31ClN4O4/c1-31(16-19-3-4-23(15-30)25(29)13-19)26(34)17-33-12-9-21-5-6-22(14-24(21)28(33)36)20-7-10-32(11-8-20)27(35)18-37-2/h3-6,13-14,20H,7-12,16-18H2,1-2H3 | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[(3-chloro-4-cyanophenyl)methyl]-2-{7-[1-(methoxyacetyl)piperidin-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl}-N-methylacetamide |
|
 | | XG2 | | Name: | 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole | | Formula: | C15 H19 Cl N2 O | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1cc[NH]n1 | | InChi: | InChI=1S/C15H19ClN2O/c1-10-7-14(19-9-11-5-6-17-18-11)12(8-13(10)16)15(2,3)4/h5-8H,9H2,1-4H3,(H,17,18) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1H-pyrazole |
|
 | | XUI | | Name: | 2-{6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl}-N-[(3,4-dichlorophenyl)methyl]acetamide | | Formula: | C27 H29 Cl2 N5 O3 | | SMILES: | O=C(C1CCCC1)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C=Nc2cc1 | | InChi: | InChI=1S/C27H29Cl2N5O3/c28-22-7-5-18(13-23(22)29)15-30-25(35)16-34-17-31-24-8-6-20(14-21(24)27(34)37)32-9-11-33(12-10-32)26(36)19-3-1-2-4-19/h5-8,13-14,17,19H,1-4,9-12,15-16H2,(H,30,35) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-{6-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxoquinazolin-3(4H)-yl}-N-[(3,4-dichlorophenyl)methyl]acetamide |
|
 | | XG6 | | Name: | [4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate | | Formula: | C22 H22 F3 N5 O5 | | SMILES: | FC(F)(F)Oc1ccc(cc1)COC(=O)N1CCC(O)(CC1)CNC(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C22H22F3N5O5/c23-22(24,25)35-16-4-1-14(2-5-16)12-34-20(32)30-9-7-21(33,8-10-30)13-26-19(31)15-3-6-17-18(11-15)28-29-27-17/h1-6,11,33H,7-10,12-13H2,(H,26,31)(H,27,28,29) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl 4-{[(1H-benzotriazole-5-carbonyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate |
|
 | | Y85 | | Name: | 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine | | Formula: | C17 H20 Cl N O | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccccn1 | | InChi: | InChI=1S/C17H20ClNO/c1-12-9-16(14(10-15(12)18)17(2,3)4)20-11-13-7-5-6-8-19-13/h5-10H,11H2,1-4H3 | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine |
|
 | | XUO | | Name: | (1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone | | Formula: | C26 H29 Cl N6 O2 | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1COc1n[NH]c2CCN(CCc12)C(=O)c1ccc2[NH]nnc2c1 | | InChi: | InChI=1S/C26H29ClN6O2/c1-15-11-17(19(13-20(15)27)26(2,3)4)14-35-24-18-7-9-33(10-8-21(18)28-31-24)25(34)16-5-6-22-23(12-16)30-32-29-22/h5-6,11-13H,7-10,14H2,1-4H3,(H,28,31)(H,29,30,32) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (1H-benzotriazol-5-yl){3-[(2-tert-butyl-4-chloro-5-methylphenyl)methoxy]-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6(1H)-yl}methanone |
|
 | | XG9 | | Name: | 4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine | | Formula: | C16 H19 Cl N2 O | | SMILES: | CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccncn1 | | InChi: | InChI=1S/C16H19ClN2O/c1-11-7-15(13(8-14(11)17)16(2,3)4)20-9-12-5-6-18-10-19-12/h5-8,10H,9H2,1-4H3 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyrimidine |
|
 | | XUT | | Name: | [4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate | | Formula: | C23 H24 F3 N3 O6 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
|
 | | Y8E | | Name: | (1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide | | Formula: | C21 H23 Cl N4 O4 | | SMILES: | COCCNC(=O)c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C | | InChi: | InChI=1S/C21H23ClN4O4/c1-13-9-18(30-12-19-24-25-21(28)26(19)2)16(11-17(13)22)14-5-4-6-15(10-14)20(27)23-7-8-29-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,23,27)(H,25,28) | | Definition date: | 2023-06-12 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (1M)-5'-chloro-N-(2-methoxyethyl)-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carboxamide |
|
 | | XUX | | Name: | 2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-1H-imidazole-5-carbonitrile | | Formula: | C17 H17 Cl N4 O | | SMILES: | Cn1c(cnc1COc1cc(Cl)c(C#N)cc1C(C)(C)C)C#N | | InChi: | InChI=1S/C17H17ClN4O/c1-17(2,3)13-5-11(7-19)14(18)6-15(13)23-10-16-21-9-12(8-20)22(16)4/h5-6,9H,10H2,1-4H3 | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-1-methyl-1H-imidazole-5-carbonitrile |
|
 | | XGI | | Name: | 5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile | | Formula: | C22 H25 Cl N4 O3 | | SMILES: | O=C(N1CCC21COC2)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C | | InChi: | InChI=1S/C22H25ClN4O3/c1-21(2,3)15-7-14(9-24)16(23)8-18(15)30-11-19-25-10-17(26(19)4)20(28)27-6-5-22(27)12-29-13-22/h7-8,10H,5-6,11-13H2,1-4H3 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-tert-butyl-2-chloro-4-{[1-methyl-5-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)-1H-imidazol-2-yl]methoxy}benzonitrile |
|
 | | XV2 | | Name: | (3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide | | Formula: | C22 H25 F3 N6 O3 | | SMILES: | O=C(NCc1cnn[NH]1)N1CC2CCN(CCC2C1)C(=O)/C=C/c1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C22H25F3N6O3/c23-22(24,25)34-19-4-1-15(2-5-19)3-6-20(32)30-9-7-16-13-31(14-17(16)8-10-30)21(33)26-11-18-12-27-29-28-18/h1-6,12,16-17H,7-11,13-14H2,(H,26,33)(H,27,28,29) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3aR,8aS)-N-[(1H-1,2,3-triazol-5-yl)methyl]-6-{(2E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl}octahydropyrrolo[3,4-d]azepine-2(1H)-carboxamide |
|
 | | YLU | | Name: | (1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide | | Formula: | C24 H24 F N7 O | | SMILES: | Cc1ncc(nc1)CNC(=O)c1cc(cc(c1)n1nnnc1CCC)c1ccc(C)cc1F | | InChi: | InChI=1S/C24H24FN7O/c1-4-5-23-29-30-31-32(23)20-10-17(21-7-6-15(2)8-22(21)25)9-18(11-20)24(33)28-14-19-13-26-16(3)12-27-19/h6-13H,4-5,14H2,1-3H3,(H,28,33) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (1P,5P)-2'-fluoro-4'-methyl-N-[(5-methylpyrazin-2-yl)methyl]-5-(5-propyl-1H-tetrazol-1-yl)[1,1'-biphenyl]-3-carboxamide |
|
