Chem
J-GLOBAL ID：201907005381435678   Nikkaji number：J3.740.513B

1-[(4-methoxyphenyl)methyl]-2-(pyridin-4-yl)-5-(trifluoromethyl)-1,3-benzodiazole

1-[(4-メトキシフェニル)メチル]-2-(ピリジン-4-イル)-5-(トリフルオロメチル)-1,3-ベンゾジアゾール
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： C21H16F3N3O
Molecular formula furigana： C21-H16-F3-N3-O
Molecular weight： 383.374
InChI： InChI=1S/C21H16F3N3O/c1-28-17-5-2-14(3-6-17)13-27-19-7-4-16(21(22,23)24)12-18(19)26-20(27)15-8-10-25-11-9-15/h2-12H,13H2,1H3
InChI key： RNUXTRWEVDBXMV-UHFFFAOYSA-N
SMILES： c12n(c(nc1cc(cc2)C(F)(F)F)c1ccncc1)Cc1ccc(cc1)OC
Systematic name  (3)：
  • 1-(4-メトキシベンジル)-2-(4-ピリジニル)-5-(トリフルオロメチル)-1H-ベンゾイミダゾール
  • 1-[(4-メトキシフェニル)メチル]-2-(ピリジン-4-イル)-5-(トリフルオロメチル)-1H-1,3-ベンゾジアゾール
  • 1-[(4-methoxyphenyl)methyl]-2-(pyridin-4-yl)-5-(trifluoromethyl)-1H-1,3-benzodiazole
Other name (2)：
  • 1-[(4-メトキシフェニル)メチル]-2-(ピリジン-4-イル)-5-(トリフルオロメチル)-1,3-ベンゾジアゾール
  • 1-[(4-methoxyphenyl)methyl]-2-(pyridin-4-yl)-5-(trifluoromethyl)-1,3-benzodiazole
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