Chem
J-GLOBAL ID：200907070183770355   Nikkaji number：J2.040.716F

(3aS)-1,8-Diacetyl-5-(2-bromobenzoyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline

(3aS)-1,8-ジアセチル-5-(2-ブロモベンゾイル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン
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： C22H21BrN2O3
Molecular formula furigana： C22-H21-BR-N2-O3
Molecular weight： 441.325
InChI： InChI=1S/C22H21BrN2O3/c1-13(26)15-7-8-20-18(11-15)21-16(9-10-24(21)14(2)27)12-25(20)22(28)17-5-3-4-6-19(17)23/h3-8,11,16,21H,9-10,12H2,1-2H3/t16-,21-/m0/s1
InChI key： WWGUSNZCNROPSW-KKSFZXQISA-N
SMILES： CC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3Br)c3ccc(cc3[C@@H]12)C(=O)C
Systematic name  (3)：
  • (3aS)-1,8-ジアセチル-5-(2-ブロモベンゾイル)-2,3,3aα,4,5,9bα-ヘキサヒドロ-1H-ピロロ[3,2-c]キノリン
  • 1-[(3aS,9bS)-8-アセチル-5-(2-ブロモベンゾイル)-1H,2H,3H,3aH,4H,5H,9bH-ピロロ[3,2-c]キノリン-1-イル]エタン-1-オン
  • 1-[(3aS,9bS)-8-acetyl-5-(2-bromobenzoyl)-1H,2H,3H,3aH,4H,5H,9bH-pyrrolo[3,2-c]quinolin-1-yl]ethan-1-one
Other name (1)：
  • (3aS)-1,8-Diacetyl-5-(2-bromobenzoyl)-2,3,3aα,4,5,9bα-hexahydro-1H-pyrrolo[3,2-c]quinoline
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