Chem
J-GLOBAL ID:200907081556620350   Nikkaji number:J2.020.210F

4-[1-Hydroxy-1-(1-methyl-1H-imidazole-5-yl)-3-(3′,5-dichloro-2-biphenylyl)-2-propynyl]benzonitrile

4-[1-ヒドロキシ-1-(1-メチル-1H-イミダゾール-5-イル)-3-(3′,5-ジクロロ-2-ビフェニリル)-2-プロピニル]ベンゾニトリル
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: C26H17Cl2N3O
Molecular formula furigana: C26-H17-CL2-N3-O
Molecular weight: 458.340
InChI: InChI=1S/C26H17Cl2N3O/c1-31-17-30-16-25(31)26(32,21-8-5-18(15-29)6-9-21)12-11-19-7-10-23(28)14-24(19)20-3-2-4-22(27)13-20/h2-10,13-14,16-17,32H,1H3
InChI key: AYVGITDSDRJQKI-UHFFFAOYSA-N
SMILES: Cn1cncc1C(O)(C#Cc1ccc(Cl)cc1c1cccc(Cl)c1)c1ccc(cc1)C#N
Systematic name  (3):
  • 4-[1-ヒドロキシ-1-(1-メチル-1H-イミダゾール-5-イル)-3-(3′,5-ジクロロ-2-ビフェニリル)-2-プロピニル]ベンゾニトリル
  • 4-(3-{3',5-ジクロロ-[1,1'-ビフェニル]-2-イル}-1-ヒドロキシ-1-(1-メチル-1H-イミダゾール-5-イル)プロパ-2-イン-1-イル)ベンゾニトリル
  • 4-(3-{3',5-dichloro-[1,1'-biphenyl]-2-yl}-1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)prop-2-yn-1-yl)benzonitrile
Other name (1):
  • 4-[1-Hydroxy-1-(1-methyl-1H-imidazole-5-yl)-3-(3′,5-dichloro-2-biphenylyl)-2-propynyl]benzonitrile
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