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

Systemtic Name: 1-[3-fluoranyl-4-[4-(3-methyl-4-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-(3-methyl-4-nitro-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(3-methyl-4-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(3-methyl-4-nitro-benzoyl)piperazino]phenyl]ethanone Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O4/c1-13-11-16(4-5-18(13)24(27)28)20(26)23-9-7-22(8-10-23)19-6-3-15(14(2)25)12-17(19)21/h3-6,11-12H,7-10H2,1-2H3