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

Systemtic Name: 1-[3-fluoranyl-4-[4-[2-(3-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[2-(3-methyl-1-piperidyl)-5-nitro-benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[2-(3-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[2-(3-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(3-methylpiperidino)-5-nitro-benzoyl]piperazino]phenyl]ethanone Formula: C25H29FN4O4 MolecularWeight: 468.520563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

InChI

InChI=1S/C25H29FN4O4/c1-17-4-3-9-29(16-17)23-8-6-20(30(33)34)15-21(23)25(32)28-12-10-27(11-13-28)24-7-5-19(18(2)31)14-22(24)26/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3