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

Systemtic Name: 1-[3-fluoranyl-4-[4-(5-nitro-2-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[3-fluoro-4-[4-[5-nitro-2-(1-piperidyl)benzoyl]piperazin-1-yl]phenyl]propan-1-one CAS Name: 1-[3-fluoro-4-[4-[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[3-fluoro-4-[4-(5-nitro-2-piperidin-1-ylbenzoyl)piperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[3-fluoro-4-[4-(5-nitro-2-piperidino-benzoyl)piperazino]phenyl]propan-1-one Formula: C25H29FN4O4 MolecularWeight: 468.520563

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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-])N4CCCCC4)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4)F

InChI

InChI=1S/C25H29FN4O4/c1-2-24(31)18-6-8-23(21(26)16-18)28-12-14-29(15-13-28)25(32)20-17-19(30(33)34)7-9-22(20)27-10-4-3-5-11-27/h6-9,16-17H,2-5,10-15H2,1H3