Chem
J-GLOBAL ID:200907050320972920   Nikkaji number:J2.595.947G

1-[3-Methyl-4-(3α,4-dibenzylpiperazino)phenyl]-2β-isobutyl-4-benzylpiperazine

1-[3-メチル-4-(3α,4-ジベンジルピペラジノ)フェニル]-2β-イソブチル-4-ベンジルピペラジン
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: C40H50N4
Molecular formula furigana: C40-H50-N4
Molecular weight: 586.868
InChI: InChI=1S/C40H50N4/c1-32(2)25-39-30-41(28-35-15-9-5-10-16-35)21-24-44(39)37-19-20-40(33(3)26-37)43-23-22-42(29-36-17-11-6-12-18-36)38(31-43)27-34-13-7-4-8-14-34/h4-20,26,32,38-39H,21-25,27-31H2,1-3H3/t38-,39-/m0/s1
InChI key: YDAQYKCPYDENCU-YDAXCOIMSA-N
SMILES: CC(C)C[C@H]1CN(Cc2ccccc2)CCN1c1ccc(N2CCN(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)c(C)c1
Systematic name  (3):
  • 1-[3-メチル-4-(3α,4-ジベンジルピペラジノ)フェニル]-2β-イソブチル-4-ベンジルピペラジン
  • (2S)-4-ベンジル-1-{4-[(3S)-3,4-ジベンジルピペラジン-1-イル]-3-メチルフェニル}-2-(2-メチルプロピル)ピペラジン
  • (2S)-4-benzyl-1-{4-[(3S)-3,4-dibenzylpiperazin-1-yl]-3-methylphenyl}-2-(2-methylpropyl)piperazine
Other name (1):
  • 1-[3-Methyl-4-(3α,4-dibenzylpiperazino)phenyl]-2β-isobutyl-4-benzylpiperazine
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