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

Systemtic Name: 1-[3-fluoranyl-4-[4-[5-nitro-2-(3-oxidanylpiperidin-1-yl)phenyl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[2-(3-hydroxy-1-piperidyl)-5-nitro-benzoyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[[2-(3-hydroxy-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[2-(3-hydroxypiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-(3-hydroxypiperidino)-5-nitro-benzoyl]piperazino]phenyl]ethanone Formula: C24H27FN4O5 MolecularWeight: 470.493383

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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-])N4CCCC(C4)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC(C4)O)F

InChI

InChI=1S/C24H27FN4O5/c1-16(30)17-4-6-23(21(25)13-17)26-9-11-27(12-10-26)24(32)20-14-18(29(33)34)5-7-22(20)28-8-2-3-19(31)15-28/h4-7,13-14,19,31H,2-3,8-12,15H2,1H3