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

Systemtic Name: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1,4-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1,4-bis(4-piperonylpiperazino)butane-1,4-dione Formula: C28H34N4O6 MolecularWeight: 522.59276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O6/c33-27(31-11-7-29(8-12-31)17-21-1-3-23-25(15-21)37-19-35-23)5-6-28(34)32-13-9-30(10-14-32)18-22-2-4-24-26(16-22)38-20-36-24/h1-4,15-16H,5-14,17-20H2