Chem
J-GLOBAL ID：200907024627383335   Nikkaji number：J703.330C

1-(4-Fluorophenyl)-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-フルオロフェニル)-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： C19H16F3N7O2
Molecular formula furigana： C19-H16-F3-N7-O2
Molecular weight： 431.379
InChI： InChI=1S/C19H16F3N7O2/c1-12(28-18(30)29(26-25-28)15-5-2-13(20)3-6-15)19(31,9-27-11-23-10-24-27)16-7-4-14(21)8-17(16)22/h2-8,10-12,31H,9H2,1H3/t12-,19-/m1/s1
InChI key： QHPIWONLGYLLHT-CWTRNNRKSA-N
SMILES： C[C@@H](n1nnn(c2ccc(F)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • 1-(4-フルオロフェニル)-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-フルオロフェニル)-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-fluorophenyl)-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
Other name (1)：
  • 1-(4-Fluorophenyl)-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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