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

Systemtic Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-(4-nitrophenyl)-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(4-nitrophenyl)piperazino]heptan-1-one Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-2-3-4-5-6-17(21)19-13-11-18(12-14-19)15-7-9-16(10-8-15)20(22)23/h7-10H,2-6,11-14H2,1H3