[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(4-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(4-fluorophenyl)piperazino]methanone Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H27FN4O3/c24-19-6-8-20(9-7-19)25-13-15-27(16-14-25)23(29)18-5-10-21(22(17-18)28(30)31)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16H2