Chem
J-GLOBAL ID：200907001304935983   Nikkaji number：J1.557.820C

6,7-Dihydro-5-methyl-6-[4-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine-9-yl)benzylidene]-7-phenyl-7-hydroxy-1H-1,4-diazepine-2,3-dicarbonitrile

6,7-ジヒドロ-5-メチル-6-[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)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： C33H29N5O
Molecular formula furigana： C33-H29-N5-O
Molecular weight： 511.629
InChI： InChI=1S/C33H29N5O/c1-22-29(33(39,28-9-3-2-4-10-28)37-31(21-35)30(20-34)36-22)17-23-11-13-24(14-12-23)27-18-25-7-5-15-38-16-6-8-26(19-27)32(25)38/h2-4,9-14,17-19,37,39H,5-8,15-16H2,1H3
InChI key： RGCDANINFXBFLW-UHFFFAOYSA-N
SMILES： CC1=NC(=C(NC(O)(c2ccccc2)C1=Cc1ccc(cc1)c1cc2CCCN3CCCc(c1)c23)C#N)C#N
Systematic name  (3)：
  • 6,7-ジヒドロ-5-メチル-6-[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)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
  • 6-[(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)メチリデン]-7-ヒドロキシ-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
  • 6-[(4-{1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl}phenyl)methylidene]-7-hydroxy-5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile
Other name (1)：
  • 6,7-Dihydro-5-methyl-6-[4-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine-9-yl)benzylidene]-7-phenyl-7-hydroxy-1H-1,4-diazepine-2,3-dicarbonitrile
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