[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-phenyl-methanone Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN4O3/c24-19-16-22(28(30)31)21(17-20(19)25-10-6-1-2-7-11-25)26-12-14-27(15-13-26)23(29)18-8-4-3-5-9-18/h3-5,8-9,16-17H,1-2,6-7,10-15H2