Chem
J-GLOBAL ID：201807010625016504   Nikkaji number：J3.680.022D

(14bS,14cR)-14-Benzyl-1,2,9,14,14b,14c-hexahydro-6H,8H-indolo[3,2-d]pyrido[3,2,1-jk][1]benzoazepine-14b-carboxylic acid methyl ester

(14bS,14cR)-14-ベンジル-1,2,9,14,14b,14c-ヘキサヒドロ-6H,8H-インドロ[3,2-d]ピリド[3,2,1-jk][1]ベンゾアゼピン-14b-カルボン酸メチル
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： C28H28N2O2
Molecular formula furigana： C28-H28-N2-O2
Molecular weight： 424.544
InChI： InChI=1S/C28H28N2O2/c1-32-27(31)28-16-7-11-21-12-8-17-29(25(21)28)18-15-23-22-13-5-6-14-24(22)30(26(23)28)19-20-9-3-2-4-10-20/h2-6,8-14,25H,7,15-19H2,1H3/t25-,28+/m1/s1
InChI key： VOCGSFQNWYEGJC-NAKRPHOHSA-N
SMILES： COC(=O)[C@]12CCC=C3C=CCN(CCc4c1n(Cc1ccccc1)c1ccccc41)[C@@H]23
Systematic name  (3)：
  • (14bS,14cR)-14-ベンジル-1,2,9,14,14b,14c-ヘキサヒドロ-6H,8H-インドロ[3,2-d]ピリド[3,2,1-jk][1]ベンゾアゼピン-14b-カルボン酸メチル
  • メチル (1S,21R)-3-ベンジル-3,13-ジアザペンタシクロ[11.7.1.02,10.04,9.017,21]ヘンイコサ-2(10),4,6,8,15,17-ヘキサエン-1-カルボキシラート
  • methyl (1S,21R)-3-benzyl-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-2(10),4,6,8,15,17-hexaene-1-carboxylate
Other name (1)：
  • (14bS,14cR)-14-Benzyl-1,2,9,14,14b,14c-hexahydro-6H,8H-indolo[3,2-d]pyrido[3,2,1-jk][1]benzoazepine-14b-carboxylic acid methyl ester
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