3,3-dimethyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-(3-nitrobenzyl)piperazino]butan-1-one Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3/c1-17(2,3)12-16(21)19-9-7-18(8-10-19)13-14-5-4-6-15(11-14)20(22)23/h4-6,11H,7-10,12-13H2,1-3H3