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

Systemtic Name: 1-[3-fluoranyl-4-[4-[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylpiperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[3-fluoro-4-[4-[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]piperazin-1-yl]phenyl]propan-1-one CAS Name: 1-[3-fluoro-4-[4-[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[3-fluoro-4-[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[3-fluoro-4-[4-[2-(4-methylpiperidino)-5-nitro-benzoyl]piperazino]phenyl]propan-1-one Formula: C26H31FN4O4 MolecularWeight: 482.547143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)C)F

InChI

InChI=1S/C26H31FN4O4/c1-3-25(32)19-4-6-24(22(27)16-19)29-12-14-30(15-13-29)26(33)21-17-20(31(34)35)5-7-23(21)28-10-8-18(2)9-11-28/h4-7,16-18H,3,8-15H2,1-2H3