Chem
J-GLOBAL ID：200907079068485466   Nikkaji number：J338.789E

3-[4-(Trifluoromethyl)benzoyl]-4α-methyl-5-(2,4-difluorophenyl)-5β-[(1H-1,2,4-triazole-1-yl)methyl]oxazolidine

3-[4-(トリフルオロメチル)ベンゾイル]-4α-メチル-5-(2,4-ジフルオロフェニル)-5β-[(1H-1,2,4-トリアゾール-1-イル)メチル]オキサゾリジン
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： C21H17F5N4O2
Molecular formula furigana： C21-H17-F5-N4-O2
Molecular weight： 452.385
InChI： InChI=1S/C21H17F5N4O2/c1-13-20(9-29-11-27-10-28-29,17-7-6-16(22)8-18(17)23)32-12-30(13)19(31)14-2-4-15(5-3-14)21(24,25)26/h2-8,10-11,13H,9,12H2,1H3/t13-,20-/m1/s1
InChI key： KMVBFZQAKGZIMA-ZUOKHONESA-N
SMILES： C[C@H]1N(CO[C@@]1(Cn1cncn1)c1ccc(F)cc1F)C(=O)c1ccc(cc1)C(F)(F)F
Systematic name  (5)：
  • (4R,5R)-5-(2,4-ジフルオロフェニル)-4-メチル-5-[(1H-1,2,4-トリアゾール-1-イル)メチル]-3-(4-トリフルオロメチルベンゾイル)オキサゾリジン
  • (4R,5R)-5-(2,4-ジフルオロフェニル)-4-メチル-3-[4-(トリフルオロメチル)ベンゾイル]-5-[(1H-1,2,4-トリアゾール-1-イル)メチル]オキサゾリジン
  • 3-[4-(トリフルオロメチル)ベンゾイル]-4α-メチル-5-(2,4-ジフルオロフェニル)-5β-[(1H-1,2,4-トリアゾール-1-イル)メチル]オキサゾリジン
  • 1-{[(4R,5R)-5-(2,4-ジフルオロフェニル)-4-メチル-3-[4-(トリフルオロメチル)ベンゾイル]-1,3-オキサゾリジン-5-イル]メチル}-1H-1,2,4-トリアゾール
  • 1-{[(4R,5R)-5-(2,4-difluorophenyl)-4-methyl-3-[4-(trifluoromethyl)benzoyl]-1,3-oxazolidin-5-yl]methyl}-1H-1,2,4-triazole
Other name (2)：
  • (4R,5R)-5-(2,4-Difluorophenyl)-4-methyl-3-[4-(trifluoromethyl)benzoyl]-5-[(1H-1,2,4-triazol-1-yl)methyl]oxazolidine
  • 3-[4-(Trifluoromethyl)benzoyl]-4α-methyl-5-(2,4-difluorophenyl)-5β-[(1H-1,2,4-triazole-1-yl)methyl]oxazolidine
Thsaurus map：
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