1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone Traditional Name: 2-(3-methoxyphenyl)-1-(4-piperonyloylpiperazino)ethanone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-26-17-4-2-3-15(11-17)12-20(24)22-7-9-23(10-8-22)21(25)16-5-6-18-19(13-16)28-14-27-18/h2-6,11,13H,7-10,12,14H2,1H3