Chem
J-GLOBAL ID：200907024833857459   Nikkaji number：J965.797E

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

(4S)-1,2,3,4,5,6,7aβ,8-オクタヒドロ-2-ベンジル-4α-メチル-12cαH-6α,12bα-メタノ-7H-2,4a,7,8-テトラアザジベンゾ[a,h]アズレン-7-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： C25H30N4O2
Molecular formula furigana： C25-H30-N4-O2
Molecular weight： 418.541
InChI： InChI=1S/C25H30N4O2/c1-17-13-27(14-18-8-4-3-5-9-18)16-22-25-12-19(15-28(17)22)29(24(30)31-2)23(25)26-21-11-7-6-10-20(21)25/h3-11,17,19,22-23,26H,12-16H2,1-2H3/t17-,19-,22+,23-,25-/m0/s1
InChI key： NSLUVFLPWGDXFJ-TZGDUONMSA-N
SMILES： COC(=O)N1[C@H]2C[C@@]3([C@H]1Nc1ccccc31)[C@H]1CN(Cc3ccccc3)C[C@H](C)N1C2
Systematic name  (3)：
  • (4S)-1,2,3,4,5,6,7aβ,8-オクタヒドロ-2-ベンジル-4α-メチル-12cαH-6α,12bα-メタノ-7H-2,4a,7,8-テトラアザジベンゾ[a,h]アズレン-7-カルボン酸メチル
  • メチル (1S,9S,11S,14S,18S)-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-10-カルボキシラート
  • methyl (1S,9S,11S,14S,18S)-16-benzyl-14-methyl-8,10,13,16-tetraazapentacyclo[9.7.1.01,9.02,7.013,18]nonadeca-2,4,6-triene-10-carboxylate
Other name (1)：
  • (4S)-1,2,3,4,5,6,7aβ,8-Octahydro-2-benzyl-4α-methyl-12cαH-6α,12bα-methano-7H-2,4a,7,8-tetraazadibenzo[a,h]azulene-7-carboxylic acid methyl ester
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