 | | T9Y | | Name: | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate | | Formula: | C7 H7 F3 N2 O2 | | SMILES: | c1c(c(C(F)(F)F)nn1)C(OCC)=O | | InChi: | InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12) | | Definition date: | 2020-03-18 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate |
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 | | SWP | | Name: | methyl ((10R,14S)-14-(4-(3-chloro-2,6-difluorophenyl)-6-oxo-3,6-dihydro- 1(2h)-pyridinyl)-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.0~2,7~]nonadeca- 1(19),2,4,6,15,17-hexaen-5-yl)carbamate | | Formula: | C31 H29 Cl F2 N4 O4 | | SMILES: | COC(=O)Nc1ccc2c(NC(=O)[CH](C)CCC[CH](N3CCC(=CC3=O)c4c(F)ccc(Cl)c4F)c5cc2ccn5)c1 | | InChi: | InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1 | | Definition date: | 2020-03-12 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | methyl ~{N}-[(10~{R},14~{S})-14-[4-[3-chloranyl-2,6-bis(fluoranyl)phenyl]-6-oxidanylidene-2,3-dihydropyridin-1-yl]-10-methyl-9-oxidanylidene-8,16-diazatricyclo[13.3.1.0^{2,7}]nonadeca-1(18),2,4,6,15(19),16-hexaen-5-yl]carbamate |
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 | | UKV | | Name: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | | Formula: | C11 H9 N O2 S2 | | SMILES: | COc2cccc([C@H]=C1C(NC(S1)=S)=O)c2 | | InChi: | InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)/b9-6- | | Definition date: | 2020-05-20 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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 | | UL1 | | Name: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | | Formula: | C12 H11 N O3 S2 | | SMILES: | COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC | | InChi: | InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6- | | Definition date: | 2020-05-20 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
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 | | UPD | | Name: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide | | Formula: | C14 H19 N3 O3 | | SMILES: | N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O | | InChi: | InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19) | | Definition date: | 2020-05-26 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
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 | | UPJ | | Name: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide | | Formula: | C15 H20 N2 O2 | | SMILES: | N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O | | InChi: | InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3 | | Definition date: | 2020-05-26 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide |
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 | | UQM | | Name: | N-[4-(2-amino-2-oxoethyl)phenyl]acetamide | | Formula: | C10 H12 N2 O2 | | SMILES: | NC(Cc1ccc(NC(C)=O)cc1)=O | | InChi: | InChI=1S/C10H12N2O2/c1-7(13)12-9-4-2-8(3-5-9)6-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13) | | Definition date: | 2020-05-27 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | N-[4-(2-amino-2-oxoethyl)phenyl]acetamide |
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 | | UQS | | Name: | N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine | | Formula: | C10 H10 F N3 | | SMILES: | n2ncc(NCc1ccccc1F)c2 | | InChi: | InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14) | | Definition date: | 2020-05-27 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine |
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 | | UQV | | Name: | [2-(acetylamino)phenyl]acetic acid | | Formula: | C10 H11 N O3 | | SMILES: | c1ccc(CC(=O)O)c(NC(C)=O)c1 | | InChi: | InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-2-4-8(9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14) | | Definition date: | 2020-05-27 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | [2-(acetylamino)phenyl]acetic acid |
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 | | UR4 | | Name: | 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide | | Formula: | C12 H12 N2 O2 S | | SMILES: | n1c(csc1NC(COC)=O)c2ccccc2 | | InChi: | InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15) | | Definition date: | 2020-05-27 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide |
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 | | US7 | | Name: | 1-[4-(methylsulfonyl)phenyl]piperazine | | Formula: | C11 H16 N2 O2 S | | SMILES: | N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2 | | InChi: | InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 | | Definition date: | 2020-05-28 | | Last modified: | 2020-06-05 | | Release date: | 2020-06-10 | | Identifier: | 1-[4-(methylsulfonyl)phenyl]piperazine |
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 | | GNJ | | Name: | 4-hydroxy-8-sulfoquinoline-3-carboxylic acid | | Formula: | C10 H7 N O6 S | | SMILES: | c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O | | InChi: | InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17) | | Definition date: | 2018-05-30 | | Last modified: | 2020-06-01 | | Release date: | 2019-05-29 | | Identifier: | 4-hydroxy-8-sulfoquinoline-3-carboxylic acid |
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 | | 0TM | | Name: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide | | Formula: | C19 H18 Cl N5 O3 S | | SMILES: | Clc3cc(OC)c(OC)cc3c1nc(nc2c1c(C#N)cn2)SCC(=O)N(C)C | | InChi: | InChI=1S/C19H18ClN5O3S/c1-25(2)15(26)9-29-19-23-17(16-10(7-21)8-22-18(16)24-19)11-5-13(27-3)14(28-4)6-12(11)20/h5-6,8H,9H2,1-4H3,(H,22,23,24) | | Definition date: | 2012-06-07 | | Last modified: | 2020-06-01 | | Release date: | 2012-10-19 | | Identifier: | 2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide |
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 | | 8C1 | | Name: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide | | Formula: | C18 H23 N3 O3 | | SMILES: | c21cc(OC(C)C)c(cc1nccc2OC3CCCNC3)C(N)=O | | InChi: | InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1 | | Definition date: | 2017-01-18 | | Last modified: | 2020-06-01 | | Release date: | 2017-05-24 | | Identifier: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide |
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 | | OBC | | Name: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H19 F O6 S | | SMILES: | O=S(=O)(Oc1ccccc1F)C2CC5OC2C(c3ccc(O)cc3)=C5c4ccc(O)cc4 | | InChi: | InChI=1S/C24H19FO6S/c25-18-3-1-2-4-19(18)31-32(28,29)21-13-20-22(14-5-9-16(26)10-6-14)23(24(21)30-20)15-7-11-17(27)12-8-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1 | | Definition date: | 2015-05-07 | | Last modified: | 2020-06-01 | | Release date: | 2016-05-04 | | Identifier: | 2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | OBH | | Name: | cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Formula: | C24 H22 O6 S | | SMILES: | c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(=O)OC5C=CCC=C5 | | InChi: | InChI=1S/C24H22O6S/c25-17-10-6-15(7-11-17)22-20-14-21(31(27,28)30-19-4-2-1-3-5-19)24(29-20)23(22)16-8-12-18(26)13-9-16/h2-13,19-21,24-26H,1,14H2/t20-,21+,24+/m0/s1 | | Definition date: | 2015-05-05 | | Last modified: | 2020-06-01 | | Release date: | 2015-09-09 | | Identifier: | cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
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 | | 4ZN | | Name: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid | | Formula: | C14 H22 N O4 P | | SMILES: | NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O | | InChi: | InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1 | | Definition date: | 2015-07-02 | | Last modified: | 2020-06-01 | | Release date: | 2015-10-07 | | Identifier: | (2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid |
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 | | 0B1 | | Name: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one | | Formula: | C21 H21 N3 O2 | | SMILES: | O=C1C=C(N=C(N)N1C)C4CC4c3cccc(c2cccc(OC)c2)c3 | | InChi: | InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1 | | Definition date: | 2012-07-26 | | Last modified: | 2020-06-01 | | Release date: | 2012-10-19 | | Identifier: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one |
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 | | SJP | | Name: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide | | Formula: | C27 H52 F N7 O11 | | SMILES: | FC(CN)C(O)C(=O)NC4C(O)C(OC2OC(C(OC1OC(CN)CCC1N)C2O)CO)C(OC3OC(CN)CCC3N)C(N)C4 | | InChi: | InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+,25+,26+,27-/m0/s1 | | Definition date: | 2014-03-05 | | Last modified: | 2020-06-01 | | Release date: | 2014-11-05 | | Identifier: | (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide |
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 | | 8KG | | Name: | 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE | | Formula: | C21 H27 N O3 | | SMILES: | c1c(cccc1)C3(CC(=O)N2CC(O)C2)C4CC5CC3CC(C4)C5O | | InChi: | InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14+,16-,17+,20-,21-/m1/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2020-06-01 | | Release date: | 2017-11-01 | | Identifier: | 1-(3-hydroxyazetidin-1-yl)-2-[(1R,2S,3S,5R,6S,7S)-6-hydroxy-2-phenyltricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one |
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 | | 4M3 | | Name: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine | | Formula: | C23 H25 N5 O7 | | SMILES: | c1cc(ccc1C(NCCC(NC(C(NC(c2ccccc2)C(O)=O)=O)CC(O)=O)=O)=O)/C(N)=N | | InChi: | InChI=1S/C23H25N5O7/c24-20(25)14-6-8-15(9-7-14)21(32)26-11-10-17(29)27-16(12-18(30)31)22(33)28-19(23(34)35)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H3,24,25)(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)/t16-,19-/m0/s1 | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-01 | | Release date: | 2015-12-16 | | Identifier: | N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine |
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 | | YY2 | | Name: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide | | Formula: | C14 H21 Cl N2 O3 | | SMILES: | Clc1cc(cc(OC)c1OCC(=O)NC(C)(C)C)CN | | InChi: | InChI=1S/C14H21ClN2O3/c1-14(2,3)17-12(18)8-20-13-10(15)5-9(7-16)6-11(13)19-4/h5-6H,7-8,16H2,1-4H3,(H,17,18) | | Definition date: | 2014-10-24 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | 2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide |
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 | | 2XN | | Name: | N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide | | Formula: | C20 H26 N6 O4 S3 | | SMILES: | O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C | | InChi: | InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1 | | Definition date: | 2014-04-08 | | Last modified: | 2020-05-30 | | Release date: | 2014-11-05 | | Identifier: | N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide |
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 | | UX9 | | Name: | methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Formula: | C42 H49 N5 O6 | | SMILES: | O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C | | InChi: | InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1 | | Definition date: | 2011-10-20 | | Last modified: | 2020-05-30 | | Release date: | 2012-11-02 | | Identifier: | methyl [(1S)-1-{[2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-(4-pyridin-4-ylbenzyl)hydrazino]carbonyl}-2,2-dimethylpropyl]carbamate (non-preferred name) |
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 | | GES | | Name: | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) | | Formula: | C18 H30 N6 O2 | | SMILES: | C(NC(c1cc(C(C)(C)C)nn1C)=O)(CC(C)C)C(N(N(C)C#N)C)=O | | InChi: | InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1 | | Definition date: | 2018-05-18 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) |
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