Chem
J-GLOBAL ID：200907014774226584   Nikkaji number：J1.404.071D

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-tetrazole-1-yl)phenyl]urea

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-テトラゾール-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： C26H31F2N9O4
Molecular formula furigana： C26-H31-F2-N9-O4
Molecular weight： 571.590
InChI： InChI=1S/C26H31F2N9O4/c1-4-40-24(41-5-2)13-36(25(38)32-20-7-9-21(10-8-20)37-17-30-33-34-37)18(3)26(39,14-35-16-29-15-31-35)22-11-6-19(27)12-23(22)28/h6-12,15-18,24,39H,4-5,13-14H2,1-3H3,(H,32,38)/t18-,26-/m1/s1
InChI key： WZUMQTFWBGZIAW-WXTAPIANSA-N
SMILES： CCOC(CN([C@H](C)[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C(=O)Nc1ccc(cc1)n1cnnn1)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-テトラゾール-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-1,2,3,4-テトラゾール-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-1,2,3,4-tetrazol-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-tetrazole-1-yl)phenyl]urea
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