Chem
J-GLOBAL ID：200907019680686710   Nikkaji number：J703.318D

2-[(1R,2R)-1-Methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-4-[4-(trifluoromethoxy)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-(トリフルオロメトキシ)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： C21H17F5N6O3
Molecular formula furigana： C21-H17-F5-N6-O3
Molecular weight： 496.398
InChI： InChI=1S/C21H17F5N6O3/c1-13(20(34,9-30-11-27-10-28-30)17-7-2-14(22)8-18(17)23)32-19(33)31(12-29-32)15-3-5-16(6-4-15)35-21(24,25)26/h2-8,10-13,34H,9H2,1H3/t13-,20-/m1/s1
InChI key： AYPVVSFCHUACBG-ZUOKHONESA-N
SMILES： C[C@@H](n1ncn(c2ccc(OC(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-(トリフルオロメトキシ)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-(トリフルオロメトキシ)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-(trifluoromethoxy)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-(trifluoromethoxy)phenyl]-2H-1,2,4-triazol-3(4H)-one
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