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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(o-tolyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-methylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(o-tolyl)piperazino]propan-1-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3/c1-16-4-2-3-5-18(16)22-10-12-23(13-11-22)21(24)9-7-17-6-8-19-20(14-17)26-15-25-19/h2-6,8,14H,7,9-13,15H2,1H3