1-[4-(4-nitrophenyl)piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]octan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]octan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]octan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]octan-1-one Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-2-3-4-5-6-7-18(22)20-14-12-19(13-15-20)16-8-10-17(11-9-16)21(23)24/h8-11H,2-7,12-15H2,1H3