Chem
J-GLOBAL ID：200907001598730594   Nikkaji number：J703.320F

2-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(2,2,2-trifluoroethoxy)phenyl]-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-(2,2,2-トリフルオロエトキシ)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： C22H19F5N6O3
Molecular formula furigana： C22-H19-F5-N6-O3
Molecular weight： 510.425
InChI： InChI=1S/C22H19F5N6O3/c1-14(21(35,9-31-12-28-11-29-31)18-7-2-15(23)8-19(18)24)33-20(34)32(13-30-33)16-3-5-17(6-4-16)36-10-22(25,26)27/h2-8,11-14,35H,9-10H2,1H3/t14-,21-/m1/s1
InChI key： VNXXAGMWRVRLJZ-SPLOXXLWSA-N
SMILES： C[C@@H](n1ncn(c2ccc(OCC(F)(F)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-(2,2,2-トリフルオロエトキシ)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-(2,2,2-トリフルオロエトキシ)フェニル]-4,5-ジヒドロ-1H-1,2,4-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-(2,2,2-trifluoroethoxy)phenyl]-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-(2,2,2-trifluoroethoxy)phenyl]-2H-1,2,4-triazol-3(4H)-one
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