Chem
J-GLOBAL ID：200907082799816365   Nikkaji number：J965.796G

(4S)-1,2,3,4,5,6,7,7aβ-Octahydro-2-benzyl-4α-methyl-7-acetyl-12cαH-6α,12bα-methano-8H-2,4a,7,8-tetraazadibenzo[a,h]azulene-8-carbaldehyde

(4S)-1,2,3,4,5,6,7,7aβ-オクタヒドロ-2-ベンジル-4α-メチル-7-アセチル-12cαH-6α,12bα-メタノ-8H-2,4a,7,8-テトラアザジベンゾ[a,h]アズレン-8-カルボアルデヒド
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： C26H30N4O2
Molecular formula furigana： C26-H30-N4-O2
Molecular weight： 430.552
InChI： InChI=1S/C26H30N4O2/c1-18-13-27(14-20-8-4-3-5-9-20)16-24-26-12-21(15-28(18)24)30(19(2)32)25(26)29(17-31)23-11-7-6-10-22(23)26/h3-11,17-18,21,24-25H,12-16H2,1-2H3/t18-,21-,24+,25-,26-/m0/s1
InChI key： BNSDJCUEVAVMLU-QJOYRVTJSA-N
SMILES： C[C@H]1CN(Cc2ccccc2)C[C@H]2N1C[C@@H]1C[C@]32[C@@H](N(C=O)c2ccccc32)N1C(=O)C
Systematic name  (3)：
  • (4S)-1,2,3,4,5,6,7,7aβ-オクタヒドロ-2-ベンジル-4α-メチル-7-アセチル-12cαH-6α,12bα-メタノ-8H-2,4a,7,8-テトラアザジベンゾ[a,h]アズレン-8-カルボアルデヒド
  • (1S,9S,11S,14S,18S)-10-アセチル-16-ベンジル-14-メチル-8,10,13,16-テトラアザペンタシクロ[9.7.1.01,9.02,7.013,18]ノナデカ-2,4,6-トリエン-8-カルバルデヒド
  • (1S,9S,11S,14S,18S)-10-acetyl-16-benzyl-14-methyl-8,10,13,16-tetraazapentacyclo[9.7.1.01,9.02,7.013,18]nonadeca-2,4,6-triene-8-carbaldehyde
Other name (1)：
  • (4S)-1,2,3,4,5,6,7,7aβ-Octahydro-2-benzyl-4α-methyl-7-acetyl-12cαH-6α,12bα-methano-8H-2,4a,7,8-tetraazadibenzo[a,h]azulene-8-carbaldehyde
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