| H3L | Name: | (1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine | Formula: | C5 H10 N4 | SMILES: | C[CH](N)c1ncnn1C | InChi: | InChI=1S/C5H10N4/c1-4(6)5-7-3-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1 | Definition date: | 2020-10-30 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | (1~{S})-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine |
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| H5R | Name: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine | Formula: | C21 H24 N2 O2 S | SMILES: | COc1ccc2nc3ccc(OC)cc3c(SCC4CCNCC4)c2c1 | InChi: | InChI=1S/C21H24N2O2S/c1-24-15-3-5-19-17(11-15)21(26-13-14-7-9-22-10-8-14)18-12-16(25-2)4-6-20(18)23-19/h3-6,11-12,14,22H,7-10,13H2,1-2H3 | Definition date: | 2020-11-16 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine |
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| H69 | Name: | 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione | Formula: | C16 H15 Cl2 N3 O3 | SMILES: | O=C(C1=CC(=O)NC(=O)N1)N1CCC(CC1)c1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24) | Definition date: | 2021-07-30 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione |
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| 1I0 | Name: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one | Formula: | C28 H32 Cl N7 O3 | SMILES: | CC1CCC(CC1)Cn1c2c(nc(cc2nc1N1CCOC2CCCC21)C=1NC(=O)ON=1)c1cc(Cl)cnc1 | InChi: | InChI=1S/C28H32ClN7O3/c1-16-5-7-17(8-6-16)15-36-25-20(32-27(36)35-9-10-38-23-4-2-3-22(23)35)12-21(26-33-28(37)39-34-26)31-24(25)18-11-19(29)14-30-13-18/h11-14,16-17,22-23H,2-10,15H2,1H3,(H,33,34,37)/t16-,17-,22-,23-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one |
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| 1I3 | Name: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one | Formula: | C26 H31 Cl N6 O3 | SMILES: | CC(COC)c1nc2cc(nc(c2n1C(C)C1CCC(C)CC1)c1cc(Cl)cnc1)C=1NC(=O)ON=1 | InChi: | InChI=1S/C26H31ClN6O3/c1-14-5-7-17(8-6-14)16(3)33-23-20(30-25(33)15(2)13-35-4)10-21(24-31-26(34)36-32-24)29-22(23)18-9-19(27)12-28-11-18/h9-12,14-17H,5-8,13H2,1-4H3,(H,31,32,34)/t14-,15-,16-,17-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one |
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| 1I9 | Name: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one | Formula: | C28 H33 Cl N6 O3 | SMILES: | CC1CCC(CC1)C(C)n1c2c(nc(cc2nc1C(OCC)C1CC1)C=1NC(=O)ON=1)c1cc(Cl)cnc1 | InChi: | InChI=1S/C28H33ClN6O3/c1-4-37-25(18-9-10-18)27-32-21-12-22(26-33-28(36)38-34-26)31-23(19-11-20(29)14-30-13-19)24(21)35(27)16(3)17-7-5-15(2)6-8-17/h11-18,25H,4-10H2,1-3H3,(H,33,34,36)/t15-,16-,17-,25-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one |
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| 1GI | Name: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid | Formula: | C26 H22 Cl N5 O2 S | SMILES: | O=C(O)c1nc2nc(c3cc4ccsc4cc3)n(Cc3ccc(Cl)cc3)c2c(NC(C)C2CC2)n1 | InChi: | InChI=1S/C26H22ClN5O2S/c1-14(16-4-5-16)28-22-21-23(30-24(29-22)26(33)34)31-25(18-6-9-20-17(12-18)10-11-35-20)32(21)13-15-2-7-19(27)8-3-15/h2-3,6-12,14,16H,4-5,13H2,1H3,(H,33,34)(H,28,29,30)/t14-/m1/s1 | Definition date: | 2021-06-22 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid |
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| I9G | Name: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3
-c]isoquinoline | Formula: | C26 H33 N7 O7 S | SMILES: | C7(O)C(O)C(N1CCN(CC1)c2c3c(nnn2)c4c(s3)nc(c5c4CCCC5)N6CCOCC6)OC(C7O)C(=O)O | InChi: | InChI=1S/C26H33N7O7S/c34-17-18(35)20(26(37)38)40-25(19(17)36)33-7-5-31(6-8-33)23-21-16(28-30-29-23)15-13-3-1-2-4-14(13)22(27-24(15)41-21)32-9-11-39-12-10-32/h17-20,25,34-36H,1-12H2,(H,37,38)/t17-,18-,19+,20-,25+/m0/s1 | Synonyms: | UNC10201652-glucuronic acid conjugate | Definition date: | 2017-11-15 | Last modified: | 2021-11-05 | Release date: | 2021-11-10 | Identifier: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
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| UED | Name: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Formula: | C21 H31 N3 O5 | SMILES: | C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O)CC(C)C)c2ccccc2 | InChi: | InChI=1S/C21H31N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,14,16-18,25H,8-13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1 | Synonyms: | GC373 bound form, GC376 bound form | Definition date: | 2020-05-11 | Last modified: | 2021-11-02 | Release date: | 2020-05-20 | Identifier: | N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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| 0IM | Name: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid | Formula: | C11 H7 F3 N2 O2 | SMILES: | OC(=O)c1cnn(c2ccccc2)c1C(F)(F)F | InChi: | InChI=1S/C11H7F3N2O2/c12-11(13,14)9-8(10(17)18)6-15-16(9)7-4-2-1-3-5-7/h1-6H,(H,17,18) | Definition date: | 2021-06-07 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
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| 0JI | Name: | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid | Formula: | C10 H9 N3 O2 | SMILES: | Cc1n(nnc1C(O)=O)c2ccccc2 | InChi: | InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15) | Definition date: | 2021-06-10 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid |
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| ZRP | Name: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide | Formula: | C23 H28 N4 O | SMILES: | CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)NCCCCCC | InChi: | InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27) | Definition date: | 2021-05-25 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide |
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| ZRV | Name: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide | Formula: | C30 H28 F2 N4 O2 | SMILES: | CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc3)c(cnc2cc1F)C(=O)NC1CC1 | InChi: | InChI=1S/C30H28F2N4O2/c1-2-3-13-33-29(37)21-12-9-18(14-25(21)31)22-15-23-27(16-26(22)32)34-17-24(30(38)36-20-10-11-20)28(23)35-19-7-5-4-6-8-19/h4-9,12,14-17,20H,2-3,10-11,13H2,1H3,(H,33,37)(H,34,35)(H,36,38) | Definition date: | 2021-05-27 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide |
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| JBU | Name: | (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid | Formula: | C6 H10 O6 | SMILES: | OC[CH](O)[CH](O)CC(=O)C(O)=O | InChi: | InChI=1S/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)/t3-,5-/m1/s1 | Definition date: | 2021-05-13 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (4~{R},5~{R})-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid |
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| V84 | Name: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C25 H28 N6 O3 | SMILES: | CC(N1Cc5c(C1=O)c(cc(c4nc3n(nc(c3C(=O)NC2CC(O)C2)N)cc4)c5)C)C6CC6 | InChi: | InChI=1S/C25H28N6O3/c1-12-7-15(8-16-11-30(25(34)20(12)16)13(2)14-3-4-14)19-5-6-31-23(28-19)21(22(26)29-31)24(33)27-17-9-18(32)10-17/h5-8,13-14,17-18,32H,3-4,9-11H2,1-2H3,(H2,26,29)(H,27,33)/t13-,17-,18-/m0/s1 | Definition date: | 2020-07-14 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| 79I | Name: | 3-[(2S)-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one | Formula: | C7 H13 N3 O | SMILES: | N[CH](C[CH]1CCNC1=O)C=N | InChi: | InChI=1S/C7H13N3O/c8-4-6(9)3-5-1-2-10-7(5)11/h4-6,8H,1-3,9H2,(H,10,11)/b8-4+/t5-,6-/m0/s1 | Definition date: | 2021-09-28 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (3~{S})-3-[(2~{S})-2-azanyl-3-azanylidene-propyl]pyrrolidin-2-one |
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| 86C | Name: | 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide | Formula: | C21 H17 Cl F N5 O2 S | SMILES: | Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC3COC3)c2nc1C | InChi: | InChI=1S/C21H17ClFN5O2S/c1-11-17(27-19-15(22)3-2-4-16(19)23)5-12-7-24-28(20(12)25-11)14-6-18(31-10-14)21(29)26-13-8-30-9-13/h2-7,10,13,27H,8-9H2,1H3,(H,26,29) | Definition date: | 2021-09-08 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide |
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| 5H0 | Name: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | Formula: | C22 H26 N2 O4 S | SMILES: | CN(C)CCN1c2ccccc2SC(C(OC(C)=O)C1=O)c1ccc(OC)cc1 | InChi: | InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1 | Definition date: | 2021-07-19 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate |
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| 6I7 | Name: | 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole | Formula: | C25 H29 Cl N2 O2 | SMILES: | COc1ccccc1n2nc(cc2c3ccc(Cl)cc3)C4CC(C)(C)OC(C)(C)C4 | InChi: | InChI=1S/C25H29ClN2O2/c1-24(2)15-18(16-25(3,4)30-24)20-14-22(17-10-12-19(26)13-11-17)28(27-20)21-8-6-7-9-23(21)29-5/h6-14,18H,15-16H2,1-5H3 | Definition date: | 2021-09-14 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole |
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| 6IX | Name: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide | Formula: | C38 H53 N3 O3 | SMILES: | CC(C)C[CH](N(C)Cc1ccc(cc1)C(C)(C)C)C(=O)N[CH](Cc2ccc(OCc3ccccc3)cc2)C(=O)NC(C)(C)C | InChi: | InChI=1S/C38H53N3O3/c1-27(2)23-34(41(9)25-29-15-19-31(20-16-29)37(3,4)5)36(43)39-33(35(42)40-38(6,7)8)24-28-17-21-32(22-18-28)44-26-30-13-11-10-12-14-30/h10-22,27,33-34H,23-26H2,1-9H3,(H,39,43)(H,40,42)/t33-,34-/m0/s1 | Definition date: | 2021-09-21 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide |
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| QGJ | Name: | 1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide | Formula: | C19 H24 N3 O9 P | SMILES: | C1(CC(C(COP(=O)(O)O)O1)O)N2C(=O)NC(C(=C2)C(NCCCc3ccccc3)=O)=O | InChi: | InChI=1S/C19H24N3O9P/c23-14-9-16(31-15(14)11-30-32(27,28)29)22-10-13(18(25)21-19(22)26)17(24)20-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10,14-16,23H,4,7-9,11H2,(H,20,24)(H,21,25,26)(H2,27,28,29)/t14-,15-,16-/m1/s1 | Definition date: | 2019-10-28 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-2,4-dioxo-N-(3-phenylpropyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide |
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| 3I3 | Name: | 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine | Formula: | C19 H20 F3 N5 O2 S | SMILES: | CS(=O)(=O)c1cccc2c1[NH]cc2c1nc(ncc1C(F)(F)F)NC1CCCNC1 | InChi: | InChI=1S/C19H20F3N5O2S/c1-30(28,29)15-6-2-5-12-13(9-24-17(12)15)16-14(19(20,21)22)10-25-18(27-16)26-11-4-3-7-23-8-11/h2,5-6,9-11,23-24H,3-4,7-8H2,1H3,(H,25,26,27)/t11-/m0/s1 | Definition date: | 2021-07-05 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine |
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| RR5 | Name: | (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid | Formula: | C19 H24 Cl2 N2 O5 S | SMILES: | CC[CH]1CN([CH](C)C(O)=O)C(=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc(Cl)c3 | InChi: | InChI=1S/C19H24Cl2N2O5S/c1-3-12-10-22(11(2)19(25)26)18(24)17-6-4-5-16(12)23(17)29(27,28)15-8-13(20)7-14(21)9-15/h7-9,11-12,16-17H,3-6,10H2,1-2H3,(H,25,26)/t11-,12-,16+,17-/m0/s1 | Synonyms: | (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid | Definition date: | 2020-10-20 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid |
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| SK5 | Name: | (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one | Formula: | C16 H11 F3 O | SMILES: | FC(F)(F)c1ccc(cc1)C(=O)C=Cc2ccccc2 | InChi: | InChI=1S/C16H11F3O/c17-16(18,19)14-9-7-13(8-10-14)15(20)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+ | Synonyms: | (~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one | Definition date: | 2020-11-23 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (~{E})-3-phenyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-one |
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| SKB | Name: | (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one | Formula: | C16 H11 F3 O | SMILES: | FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccccc2 | InChi: | InChI=1S/C16H11F3O/c17-16(18,19)14-8-4-7-13(11-14)15(20)10-9-12-5-2-1-3-6-12/h1-11H/b10-9+ | Synonyms: | (~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one | Definition date: | 2020-11-23 | Last modified: | 2021-10-29 | Release date: | 2021-11-03 | Identifier: | (~{E})-3-phenyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
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