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

Systemtic Name: 1-[3-fluoranyl-4-[4-(5-nitro-2-phenyl-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(5-nitro-2-phenyl-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(5-nitro-2-phenylphenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(5-nitro-2-phenylbenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(5-nitro-2-phenyl-benzoyl)piperazino]phenyl]ethanone Formula: C25H22FN3O4 MolecularWeight: 447.458283

Click to see the large picture

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-])C4=CC=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)F

InChI

InChI=1S/C25H22FN3O4/c1-17(30)19-7-10-24(23(26)15-19)27-11-13-28(14-12-27)25(31)22-16-20(29(32)33)8-9-21(22)18-5-3-2-4-6-18/h2-10,15-16H,11-14H2,1H3