Chem
J-GLOBAL ID：200907068346490016   Nikkaji number：J1.404.078A

N-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-N-(2-hydroxyethyl)-N′-(4-nitrophenyl)urea

1-[(2R,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]-1-(2-ヒドロキシエチル)-3-(4-ニトロフェニル)尿素
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H22F2N5[N+]O4[O-]
Molecular formula furigana： C21-H22-F2-N6-O5
Molecular weight： 476.441
InChI： InChI=1S/C21H22F2N6O5/c1-14(28(8-9-30)20(31)26-16-3-5-17(6-4-16)29(33)34)21(32,11-27-13-24-12-25-27)18-7-2-15(22)10-19(18)23/h2-7,10,12-14,30,32H,8-9,11H2,1H3,(H,26,31)/t14-,21-/m1/s1
InChI key： HCVRKMWFSBCYQO-SPLOXXLWSA-N
SMILES： C[C@@H](N(CCO)C(=O)Nc1ccc(cc1)[N+](=O)[O-])[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • N-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-N-(2-ヒドロキシエチル)-N′-(4-ニトロフェニル)尿素
  • 1-[(2R,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]-1-(2-ヒドロキシエチル)-3-(4-ニトロフェニル)尿素
  • 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1-(2-hydroxyethyl)-3-(4-nitrophenyl)urea
Other name (1)：
  • N-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazole-1-yl)propyl]-N-(2-hydroxyethyl)-N′-(4-nitrophenyl)urea
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