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

Systemtic Name: 1-[4-(2-methyl-1,3-benzodioxol-5-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(2-methyl-1,3-benzodioxol-5-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(2-methyl-1,3-benzodioxol-5-yl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(2-methyl-1,3-benzodioxol-5-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(2-methyl-1,3-benzodioxol-5-yl)piperazino]butan-1-one Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(O3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(O3)C

InChI

InChI=1S/C16H22N2O3/c1-3-4-16(19)18-9-7-17(8-10-18)13-5-6-14-15(11-13)21-12(2)20-14/h5-6,11-12H,3-4,7-10H2,1-2H3