1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]hexan-1-one

Systemtic Name: 1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-(4-nitro-3-piperidino-phenyl)piperazino]hexan-1-one Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H32N4O3/c1-2-3-5-8-21(26)24-15-13-22(14-16-24)18-9-10-19(25(27)28)20(17-18)23-11-6-4-7-12-23/h9-10,17H,2-8,11-16H2,1H3