Chem
J-GLOBAL ID：200907097156884050   Nikkaji number：J2.176.838C

(3aS)-2-Benzyl-5α-(1-benzyl-2,5-dioxopyrrolidine-3-yl)-8-methyl-2,3,3aα,4,5,9bα-hexahydro-1H-benzo[e]isoindole-1,3-dione

(3aS)-2-ベンジル-5α-(1-ベンジル-2,5-ジオキソピロリジン-3-イル)-8-メチル-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ベンゾ[e]イソインドール-1,3-ジオン
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： C31H28N2O4
Molecular formula furigana： C31-H28-N2-O4
Molecular weight： 492.575
InChI： InChI=1S/C31H28N2O4/c1-19-12-13-22-23(25-16-27(34)32(29(25)35)17-20-8-4-2-5-9-20)15-26-28(24(22)14-19)31(37)33(30(26)36)18-21-10-6-3-7-11-21/h2-14,23,25-26,28H,15-18H2,1H3/t23-,25?,26-,28+/m0/s1
InChI key： UEGYLTUDEYHADK-SICBKAGHSA-N
SMILES： Cc1ccc2[C@H](C[C@H]3[C@H](C(=O)N(Cc4ccccc4)C3=O)c2c1)C1CC(=O)N(Cc2ccccc2)C1=O
Systematic name  (3)：
  • (3aS)-2-ベンジル-5α-(1-ベンジル-2,5-ジオキソピロリジン-3-イル)-8-メチル-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ベンゾ[e]イソインドール-1,3-ジオン
  • 3-[(3aS,5R,9bS)-2-ベンジル-8-メチル-1,3-ジオキソ-1H,2H,3H,3aH,4H,5H,9bH-ベンゾ[e]イソインドール-5-イル]-1-ベンジルピロリジン-2,5-ジオン
  • 3-[(3aS,5R,9bS)-2-benzyl-8-methyl-1,3-dioxo-1H,2H,3H,3aH,4H,5H,9bH-benzo[e]isoindol-5-yl]-1-benzylpyrrolidine-2,5-dione
Other name (1)：
  • (3aS)-2-Benzyl-5α-(1-benzyl-2,5-dioxopyrrolidine-3-yl)-8-methyl-2,3,3aα,4,5,9bα-hexahydro-1H-benzo[e]isoindole-1,3-dione
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