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

Systemtic Name: 1-[3-fluoranyl-4-[4-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[3-fluoro-4-[4-(5-nitro-2-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]phenyl]propan-1-one CAS Name: 1-[3-fluoro-4-[4-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[3-fluoro-4-[4-(5-nitro-2-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[3-fluoro-4-[4-(5-nitro-2-pyrrolidino-benzoyl)piperazino]phenyl]propan-1-one Formula: C24H27FN4O4 MolecularWeight: 454.493983

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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-])N4CCCC4)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4)F

InChI

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