1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pentane-1,5-dione

Systemtic Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pentane-1,5-dione Openeye Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pentane-1,5-dione CAS Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pentane-1,5-dione IUPAC Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pentane-1,5-dione Traditional Name: 1,5-bis(4-piperonylpiperazino)pentane-1,5-dione Formula: C29H36N4O6 MolecularWeight: 536.61934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H36N4O6/c34-28(32-12-8-30(9-13-32)18-22-4-6-24-26(16-22)38-20-36-24)2-1-3-29(35)33-14-10-31(11-15-33)19-23-5-7-25-27(17-23)39-21-37-25/h4-7,16-17H,1-3,8-15,18-21H2