1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-(2,5-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)propan-1-one Traditional Name: 3-(2,5-dimethoxyphenyl)-1-(4-piperonyloylpiperazino)propan-1-one Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N2O6/c1-28-18-5-7-19(29-2)16(13-18)4-8-22(26)24-9-11-25(12-10-24)23(27)17-3-6-20-21(14-17)31-15-30-20/h3,5-7,13-14H,4,8-12,15H2,1-2H3