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

Systemtic Name: 1-[3-fluoranyl-4-[4-[2-(2-methylpyrrolidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[2-(2-methylpyrrolidin-1-yl)-5-nitro-benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[2-(2-methyl-1-pyrrolidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[2-(2-methylpyrrolidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(2-methylpyrrolidino)-5-nitro-benzoyl]piperazino]phenyl]ethanone Formula: C24H27FN4O4 MolecularWeight: 454.493983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)C)F

Isomeric SMILES

CC1CCCN1C2=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/C24H27FN4O4/c1-16-4-3-9-28(16)22-8-6-19(29(32)33)15-20(22)24(31)27-12-10-26(11-13-27)23-7-5-18(17(2)30)14-21(23)25/h5-8,14-16H,3-4,9-13H2,1-2H3