Chem
J-GLOBAL ID：200907080209175405   Nikkaji number：J1.557.821A

7-Phenyl-5-[(E)-2-[4-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine-9-yl)phenyl]ethenyl]-6H-1,4-diazepine-2,3-dicarbonitrile

7-フェニル-5-[(E)-2-[4-(2,3,6,7-テトラヒドロ-1H,5H-ベンゾ[ij]キノリジン-9-イル)フェニル]エテニル]-6H-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： C33H27N5
Molecular formula furigana： C33-H27-N5
Molecular weight： 493.614
InChI： InChI=1S/C33H27N5/c34-21-31-32(22-35)37-30(25-6-2-1-3-7-25)20-29(36-31)15-12-23-10-13-24(14-11-23)28-18-26-8-4-16-38-17-5-9-27(19-28)33(26)38/h1-3,6-7,10-15,18-19H,4-5,8-9,16-17,20H2/b15-12+
InChI key： QFEIKDQCXOSLMW-NTCAYCPXSA-N
SMILES： N#CC1=C(N=C(CC(=N1)/C=C/c1ccc(cc1)c1cc2CCCN3CCCc(c1)c23)c1ccccc1)C#N
Systematic name  (3)：
  • 7-フェニル-5-[(E)-2-[4-(2,3,6,7-テトラヒドロ-1H,5H-ベンゾ[ij]キノリジン-9-イル)フェニル]エテニル]-6H-1,4-ジアゼピン-2,3-ジカルボニトリル
  • 5-[(1E)-2-(4-{1-アザトリシクロ[7.3.1.05,13]トリデカ-5,7,9(13)-トリエン-7-イル}フェニル)エテニル]-7-フェニル-6H-1,4-ジアゼピン-2,3-ジカルボニトリル
  • 5-[(1E)-2-(4-{1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl}phenyl)ethenyl]-7-phenyl-6H-1,4-diazepine-2,3-dicarbonitrile
Other name (1)：
  • 7-Phenyl-5-[(E)-2-[4-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine-9-yl)phenyl]ethenyl]-6H-1,4-diazepine-2,3-dicarbonitrile
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