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

Systemtic Name: 1-[4-[4-(3-fluoranyl-4-methyl-5-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-fluoro-4-methyl-5-nitro-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-fluoro-4-methyl-5-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-fluoro-4-methyl-5-nitrobenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-fluoro-4-methyl-5-nitro-benzoyl)piperazino]phenyl]ethanone Formula: C20H20FN3O4 MolecularWeight: 385.388903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1F)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

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