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

Systemtic Name: 2-azanyl-1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 2-amino-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 2-amino-1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 2-amino-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 2-amino-3,3-dimethyl-1-(4-piperonyloylpiperazino)butan-1-one Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-18(2,3)15(19)17(23)21-8-6-20(7-9-21)16(22)12-4-5-13-14(10-12)25-11-24-13/h4-5,10,15H,6-9,11,19H2,1-3H3