Chem
J-GLOBAL ID:200907002417660316   Nikkaji number:J1.557.818A

6,7-Dihydro-5-methyl-6-(4-methoxybenzylidene)-7-phenyl-7-hydroxy-1H-1,4-diazepine-2,3-dicarbonitrile

6,7-ジヒドロ-5-メチル-6-(4-メトキシベンジリデン)-7-フェニル-7-ヒドロキシ-1H-1,4-ジアゼピン-2,3-ジカルボニトリル
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: C22H18N4O2
Molecular formula furigana: C22-H18-N4-O2
Molecular weight: 370.412
InChI: InChI=1S/C22H18N4O2/c1-15-19(12-16-8-10-18(28-2)11-9-16)22(27,17-6-4-3-5-7-17)26-21(14-24)20(13-23)25-15/h3-12,26-27H,1-2H3
InChI key: PGXIPEGTAVYGTK-UHFFFAOYSA-N
SMILES: COc1ccc(C=C2C(=NC(=C(NC2(O)c2ccccc2)C#N)C#N)C)cc1
Systematic name  (3):
  • 6,7-ジヒドロ-5-メチル-6-(4-メトキシベンジリデン)-7-フェニル-7-ヒドロキシ-1H-1,4-ジアゼピン-2,3-ジカルボニトリル
  • 7-ヒドロキシ-6-[(4-メトキシフェニル)メチリデン]-5-メチル-7-フェニル-6,7-ジヒドロ-1H-1,4-ジアゼピン-2,3-ジカルボニトリル
  • 7-hydroxy-6-[(4-methoxyphenyl)methylidene]-5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
Other name (1):
  • 6,7-Dihydro-5-methyl-6-(4-methoxybenzylidene)-7-phenyl-7-hydroxy-1H-1,4-diazepine-2,3-dicarbonitrile
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