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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 2-methyl-1-(4-piperonylpiperazino)propan-1-one Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H22N2O3/c1-12(2)16(19)18-7-5-17(6-8-18)10-13-3-4-14-15(9-13)21-11-20-14/h3-4,9,12H,5-8,10-11H2,1-2H3