Chem
J-GLOBAL ID：201207032347443098   Nikkaji number：J3.041.409H

N-[11-(1,3-Benzodioxole-5-yl)-3α-[(S)-1-hydroxyethyl]-1,2,3,4,6,7,12,12bβ-octahydroindolo[2,3-a]quinolizine-2α-yl]-4,N-dimethylbenzamide

N-[11-(1,3-ベンゾジオキソール-5-イル)-3α-[(S)-1-ヒドロキシエチル]-1,2,3,4,6,7,12,12bβ-オクタヒドロインドロ[2,3-a]キノリジン-2α-イル]-4,N-ジメチルベンズアミド
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： C33H35N3O4
Molecular formula furigana： C33-H35-N3-O4
Molecular weight： 537.660
InChI： InChI=1S/C33H35N3O4/c1-19-7-9-21(10-8-19)33(38)35(3)27-16-28-32-25(13-14-36(28)17-26(27)20(2)37)24-6-4-5-23(31(24)34-32)22-11-12-29-30(15-22)40-18-39-29/h4-12,15,20,26-28,34,37H,13-14,16-18H2,1-3H3/t20-,26-,27-,28-/m0/s1
InChI key： GLHYSAFURQJMMN-PFCIVCCVSA-N
SMILES： C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(cccc34)c3ccc4OCOc4c3)[C@@H]2C[C@@H]1N(C)C(=O)c1ccc(C)cc1
Systematic name  (3)：
  • N-[11-(1,3-ベンゾジオキソール-5-イル)-3α-[(S)-1-ヒドロキシエチル]-1,2,3,4,6,7,12,12bβ-オクタヒドロインドロ[2,3-a]キノリジン-2α-イル]-4,N-ジメチルベンズアミド
  • N-[(2S,3R,12bS)-11-(2H-1,3-ベンゾジオキソール-5-イル)-3-[(1S)-1-ヒドロキシエチル]-1H,2H,3H,4H,6H,7H,12H,12bH-インドロ[2,3-a]キノリジン-2-イル]-N,4-ジメチルベンズアミド
  • N-[(2S,3R,12bS)-11-(2H-1,3-benzodioxol-5-yl)-3-[(1S)-1-hydroxyethyl]-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]-N,4-dimethylbenzamide
Other name (1)：
  • N-[11-(1,3-Benzodioxole-5-yl)-3α-[(S)-1-hydroxyethyl]-1,2,3,4,6,7,12,12bβ-octahydroindolo[2,3-a]quinolizine-2α-yl]-4,N-dimethylbenzamide
Thsaurus map：
Thesaurus Map

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