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

Systemtic Name: 1-[4-[5-(azepan-1-yl)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[5-(1-azepanyl)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-2-phenylethanone Traditional Name: 1-[4-[5-(azepan-1-yl)-4-fluoro-2-nitro-phenyl]piperazino]-2-phenyl-ethanone Formula: C24H29FN4O3 MolecularWeight: 440.510463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-])F

InChI

InChI=1S/C24H29FN4O3/c25-20-17-23(29(31)32)22(18-21(20)26-10-6-1-2-7-11-26)27-12-14-28(15-13-27)24(30)16-19-8-4-3-5-9-19/h3-5,8-9,17-18H,1-2,6-7,10-16H2