1-[4-[4-[2-(azepan-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(azepan-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(azepan-1-yl)-5-nitro-benzoyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[2-(1-azepanyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(azepan-1-yl)-5-nitrobenzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[2-(azepan-1-yl)-5-nitro-benzoyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C25H29FN4O4 MolecularWeight: 468.520563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCCC4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCCC4)F

InChI

InChI=1S/C25H29FN4O4/c1-18(31)19-6-8-24(22(26)16-19)28-12-14-29(15-13-28)25(32)21-17-20(30(33)34)7-9-23(21)27-10-4-2-3-5-11-27/h6-9,16-17H,2-5,10-15H2,1H3