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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3,3-trimethyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2,3,3-trimethyl-butan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-2,3,3-trimethyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2,3,3-trimethylbutan-1-one Traditional Name: 2,3,3-trimethyl-1-(4-piperonyloylpiperazino)butan-1-one Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-13(19(2,3)4)17(22)20-7-9-21(10-8-20)18(23)14-5-6-15-16(11-14)25-12-24-15/h5-6,11,13H,7-10,12H2,1-4H3