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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(o-tolyl)ethanone CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-(2-methylphenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone Traditional Name: 2-(o-tolyl)-1-(4-piperonyloylpiperazino)ethanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c1-15-4-2-3-5-16(15)13-20(24)22-8-10-23(11-9-22)21(25)17-6-7-18-19(12-17)27-14-26-18/h2-7,12H,8-11,13-14H2,1H3