Chem
J-GLOBAL ID：200907014733703432   Nikkaji number：J2.663.969G

DA-046

(11aS)-2-(2-ナフチル)-7,8-ジメトキシ-11,11aβ-ジヒドロ-1H-ピロロ[2,1-c][1,4]ベンゾジアゼピン-5(10H)-オン
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： C24H22N2O3
Molecular formula furigana： C24-H22-N2-O3
Molecular weight： 386.451
InChI： InChI=1S/C24H22N2O3/c1-28-22-11-20-21(12-23(22)29-2)25-13-19-10-18(14-26(19)24(20)27)17-8-7-15-5-3-4-6-16(15)9-17/h3-9,11-12,14,19,25H,10,13H2,1-2H3/t19-/m0/s1
InChI key： QCHVNYAXOGUSSL-IBGZPJMESA-N
SMILES： COc1cc2NC[C@@H]3CC(=CN3C(=O)c2cc1OC)c1ccc2ccccc2c1
Systematic name  (3)：
  • (11aS)-2-(2-ナフチル)-7,8-ジメトキシ-11,11aβ-ジヒドロ-1H-ピロロ[2,1-c][1,4]ベンゾジアゼピン-5(10H)-オン
  • (7S)-12,13-ジメトキシ-5-(ナフタレン-2-イル)-3,9-ジアザトリシクロ[8.4.0.03,7]テトラデカ-1(10),4,11,13-テトラエン-2-オン
  • (7S)-12,13-dimethoxy-5-(naphthalen-2-yl)-3,9-diazatricyclo[8.4.0.03,7]tetradeca-1(10),4,11,13-tetraen-2-one
Other name (2)：
  • (11aS)-2-(2-Naphthyl)-7,8-dimethoxy-11,11aβ-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5(10H)-one
  • DA-046
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