Chem
J-GLOBAL ID：200907001680422067   Nikkaji number：J806.472E

(2E)-2-[(6-Benzyloxy-1,3-benzodioxol-5-yl)methylene]-3-benzyl-9-methoxy-8,11-dimethyl-2,3,5,6-tetrahydro-1β,5β-epimino-3-benzazocin-4(1H)-one

(2E)-2-[(6-ベンジルオキシ-1,3-ベンゾジオキソール-5-イル)メチレン]-3-ベンジル-9-メトキシ-8,11-ジメチル-2,3,5,6-テトラヒドロ-1β,5β-エピミノ-3-ベンゾアゾシン-4(1H)-オン
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： C36H34N2O5
Molecular formula furigana： C36-H34-N2-O5
Molecular weight： 574.677
InChI： InChI=1S/C36H34N2O5/c1-23-14-26-15-30-36(39)38(20-24-10-6-4-7-11-24)29(35(37(30)2)28(26)18-31(23)40-3)16-27-17-33-34(43-22-42-33)19-32(27)41-21-25-12-8-5-9-13-25/h4-14,16-19,30,35H,15,20-22H2,1-3H3/b29-16+/t30-,35+/m0/s1
InChI key： NBHWGFVJPSTJHN-LBIUWUTPSA-N
SMILES： COc1cc2[C@H]3N(C)[C@@H](Cc2cc1C)C(=O)N(Cc1ccccc1)/C/3=C/c1cc2OCOc2cc1OCc1ccccc1
Systematic name  (3)：
  • (2E)-2-[(6-ベンジルオキシ-1,3-ベンゾジオキソール-5-イル)メチレン]-3-ベンジル-9-メトキシ-8,11-ジメチル-2,3,5,6-テトラヒドロ-1β,5β-エピミノ-3-ベンゾアゾシン-4(1H)-オン
  • (1R,9S,12E)-11-ベンジル-12-{[6-(ベンジルオキシ)-2H-1,3-ベンゾジオキソール-5-イル]メチリデン}-4-メトキシ-5,13-ジメチル-11,13-ジアザトリシクロ[7.3.1.02,7]トリデカ-2(7),3,5-トリエン-10-オン
  • (1R,9S,12E)-11-benzyl-12-{[6-(benzyloxy)-2H-1,3-benzodioxol-5-yl]methylidene}-4-methoxy-5,13-dimethyl-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one
Other name (1)：
  • (2E)-2-[(6-Benzyloxy-1,3-benzodioxol-5-yl)methylene]-3-benzyl-9-methoxy-8,11-dimethyl-2,3,5,6-tetrahydro-1β,5β-epimino-3-benzazocin-4(1H)-one
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