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

Systemtic Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-pentane-1,5-dione Openeye Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-pentane-1,5-dione CAS Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3,3-dimethylpentane-1,5-dione IUPAC Name: 1,5-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethylpentane-1,5-dione Traditional Name: 3,3-dimethyl-1,5-bis(4-piperonylpiperazino)pentane-1,5-dione Formula: C31H40N4O6 MolecularWeight: 564.6725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H40N4O6/c1-31(2,17-29(36)34-11-7-32(8-12-34)19-23-3-5-25-27(15-23)40-21-38-25)18-30(37)35-13-9-33(10-14-35)20-24-4-6-26-28(16-24)41-22-39-26/h3-6,15-16H,7-14,17-22H2,1-2H3