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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 2-methyl-1-(4-piperonylpiperazino)butan-1-one Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-3-13(2)17(20)19-8-6-18(7-9-19)11-14-4-5-15-16(10-14)22-12-21-15/h4-5,10,13H,3,6-9,11-12H2,1-2H3