Chem
J-GLOBAL ID：200907063302242331   Nikkaji number：J703.334F

1-[4-(2,2,2-Trifluoroethoxy)phenyl]-4-[(1R,2R)-1-methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-tetrazol-5(4H)-one

1-[4-(2,2,2-トリフルオロエトキシ)フェニル]-4-[(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]-1H-テトラゾール-5(4H)-オン
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： C21H18F5N7O3
Molecular formula furigana： C21-H18-F5-N7-O3
Molecular weight： 511.413
InChI： InChI=1S/C21H18F5N7O3/c1-13(20(35,9-31-12-27-11-28-31)17-7-2-14(22)8-18(17)23)32-19(34)33(30-29-32)15-3-5-16(6-4-15)36-10-21(24,25)26/h2-8,11-13,35H,9-10H2,1H3/t13-,20-/m1/s1
InChI key： JGPYCAUSSOAJPE-ZUOKHONESA-N
SMILES： C[C@@H](n1nnn(c2ccc(OCC(F)(F)F)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • 1-[4-(2,2,2-トリフルオロエトキシ)フェニル]-4-[(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]-1H-テトラゾール-5(4H)-オン
  • 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]-4-[4-(2,2,2-トリフルオロエトキシ)フェニル]-4,5-ジヒドロ-1H-1,2,3,4-テトラゾール-5-オン
  • 1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-4-[4-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
Other name (1)：
  • 1-[4-(2,2,2-Trifluoroethoxy)phenyl]-4-[(1R,2R)-1-methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-1H-tetrazol-5(4H)-one
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