Chem
J-GLOBAL ID：201907016464616471   Nikkaji number：J3.740.514K

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

1-[(4-メトキシフェニル)メチル]-2-(1H-ピロール-2-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： C20H16F3N3O
Molecular formula furigana： C20-H16-F3-N3-O
Molecular weight： 371.363
InChI： InChI=1S/C20H16F3N3O/c1-27-15-7-4-13(5-8-15)12-26-18-9-6-14(20(21,22)23)11-17(18)25-19(26)16-3-2-10-24-16/h2-11,24H,12H2,1H3
InChI key： VOYXHMOYXVIZPT-UHFFFAOYSA-N
SMILES： c12n(c(nc1cc(cc2)C(F)(F)F)c1[nH]ccc1)Cc1ccc(cc1)OC
Systematic name  (3)：
  • 1-(4-メトキシベンジル)-2-(1H-ピロール-2-イル)-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-(1H-ピロール-2-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-(1H-pyrrol-2-yl)-5-(trifluoromethyl)-1H-1,3-benzodiazole
Other name (2)：
  • 1-[(4-メトキシフェニル)メチル]-2-(1H-ピロール-2-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-(1H-pyrrol-2-yl)-5-(trifluoromethyl)-1,3-benzodiazole
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