Chem
J-GLOBAL ID：200907094249572238   Nikkaji number：J703.316H

2-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-4-(4-fluorophenyl)-2H-1,2,4-triazol-3(4H)-one

2-[(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]-4-(4-フルオロフェニル)-2H-1,2,4-トリアゾール-3(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： C20H17F3N6O2
Molecular formula furigana： C20-H17-F3-N6-O2
Molecular weight： 430.391
InChI： InChI=1S/C20H17F3N6O2/c1-13(29-19(30)28(12-26-29)16-5-2-14(21)3-6-16)20(31,9-27-11-24-10-25-27)17-7-4-15(22)8-18(17)23/h2-8,10-13,31H,9H2,1H3/t13-,20-/m1/s1
InChI key： SDZYSVLNSMZSDW-ZUOKHONESA-N
SMILES： C[C@@H](n1ncn(c2ccc(F)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • 2-[(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]-4-(4-フルオロフェニル)-2H-1,2,4-トリアゾール-3(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-1,2,4-トリアゾール-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-1,2,4-triazol-5-one
Other name (1)：
  • 2-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-4-(4-fluorophenyl)-2H-1,2,4-triazol-3(4H)-one
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