Chem
J-GLOBAL ID：200907082772396364   Nikkaji number：J1.404.072B

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

3-(2,2-ジエトキシエチル)-3-[(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-(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： C25H30F2N5[N+]O5[O-]
Molecular formula furigana： C25-H30-F2-N6-O6
Molecular weight： 548.548
InChI： InChI=1S/C25H30F2N6O6/c1-4-38-23(39-5-2)13-32(24(34)30-19-7-9-20(10-8-19)33(36)37)17(3)25(35,14-31-16-28-15-29-31)21-11-6-18(26)12-22(21)27/h6-12,15-17,23,35H,4-5,13-14H2,1-3H3,(H,30,34)/t17-,25-/m1/s1
InChI key： XAFNGJVSDHEHOP-CRICUBBOSA-N
SMILES： CCOC(CN([C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C(=O)Nc1ccc(cc1)[N+](=O)[O-])OCC
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-(2,2-ジエトキシエチル)-N′-(4-ニトロフェニル)尿素
  • 3-(2,2-ジエトキシエチル)-3-[(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-(4-ニトロフェニル)尿素
  • 3-(2,2-diethoxyethyl)-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1-(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-(2,2-diethoxyethyl)-N′-(4-nitrophenyl)urea
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