Chem
J-GLOBAL ID：200907077672633489   Nikkaji number：J880.498B

(7aS)-9-(4-Carbamoylbenzyl)-5,6,7aβ,9,10,10aβ,11,11aα-octahydro-8H-pyrrolo[3′,4′:4,5]pyrrolo[2,1-a]isoquinolin-8-one

(7aS)-9-(4-カルバモイルベンジル)-5,6,7aβ,9,10,10aβ,11,11aα-オクタヒドロ-8H-ピロロ[3′,4′:4,5]ピロロ[2,1-a]イソキノリン-8-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： C22H23N3O2
Molecular formula furigana： C22-H23-N3-O2
Molecular weight： 361.445
InChI： InChI=1S/C22H23N3O2/c23-21(26)16-7-5-14(6-8-16)12-24-13-17-11-19-18-4-2-1-3-15(18)9-10-25(19)20(17)22(24)27/h1-8,17,19-20H,9-13H2,(H2,23,26)/t17-,19-,20-/m0/s1
InChI key： MJHWNYBAECEGIA-IHPCNDPISA-N
SMILES： NC(=O)c1ccc(CN2C[C@@H]3C[C@@H]4N(CCc5ccccc45)[C@@H]3C2=O)cc1
Systematic name  (3)：
  • (7aS)-9-(4-カルバモイルベンジル)-5,6,7aβ,9,10,10aβ,11,11aα-オクタヒドロ-8H-ピロロ[3′,4′:4,5]ピロロ[2,1-a]イソキノリン-8-オン
  • 4-{[(1S,11S,15S)-12-オキソ-10,13-ジアザテトラシクロ[8.6.0.02,7.011,15]ヘキサデカ-2,4,6-トリエン-13-イル]メチル}ベンズアミド
  • 4-{[(1S,11S,15S)-12-oxo-10,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-trien-13-yl]methyl}benzamide
Other name (1)：
  • (7aS)-9-(4-Carbamoylbenzyl)-5,6,7aβ,9,10,10aβ,11,11aα-octahydro-8H-pyrrolo[3′,4′:4,5]pyrrolo[2,1-a]isoquinolin-8-one
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