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

Systemtic Name: 1-[3-fluoranyl-4-[4-(2-fluoranyl-5-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[3-fluoro-4-[4-(2-fluoro-5-nitro-benzoyl)piperazin-1-yl]phenyl]propan-1-one CAS Name: 1-[3-fluoro-4-[4-[(2-fluoro-5-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-propanone IUPAC Name: 1-[3-fluoro-4-[4-(2-fluoro-5-nitrobenzoyl)piperazin-1-yl]phenyl]propan-1-one Traditional Name: 1-[3-fluoro-4-[4-(2-fluoro-5-nitro-benzoyl)piperazino]phenyl]propan-1-one Formula: C20H19F2N3O4 MolecularWeight: 403.379366

Click to see the large picture

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-])F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2N3O4/c1-2-19(26)13-3-6-18(17(22)11-13)23-7-9-24(10-8-23)20(27)15-12-14(25(28)29)4-5-16(15)21/h3-6,11-12H,2,7-10H2,1H3