Chem
J-GLOBAL ID：200907060339927998   Nikkaji number：J1.404.070F

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-(1H-1,2,3-triazole-1-yl)phenyl]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-(1H-1,2,3-トリアゾール-1-イル)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： C27H32F2N8O4
Molecular formula furigana： C27-H32-F2-N8-O4
Molecular weight： 570.602
InChI： InChI=1S/C27H32F2N8O4/c1-4-40-25(41-5-2)15-36(26(38)33-21-7-9-22(10-8-21)37-13-12-31-34-37)19(3)27(39,16-35-18-30-17-32-35)23-11-6-20(28)14-24(23)29/h6-14,17-19,25,39H,4-5,15-16H2,1-3H3,(H,33,38)/t19-,27-/m1/s1
InChI key： OUSUSJHCVFRHPD-XHCCPWGMSA-N
SMILES： CCOC(CN([C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C(=O)Nc1ccc(cc1)n1ccnn1)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-(1H-1,2,3-トリアゾール-1-イル)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-(1H-1,2,3-トリアゾール-1-イル)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-(1H-1,2,3-triazol-1-yl)phenyl]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-(1H-1,2,3-triazole-1-yl)phenyl]urea
Thsaurus map：
Thesaurus Map

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