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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 2-methyl-1-(4-piperonyloylpiperazino)butan-1-one Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N2O4/c1-3-12(2)16(20)18-6-8-19(9-7-18)17(21)13-4-5-14-15(10-13)23-11-22-14/h4-5,10,12H,3,6-9,11H2,1-2H3