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

Systemtic Name: 1-[3-fluoranyl-4-[4-(2-fluoranyl-5-nitro-phenyl)carbonylpiperazin-1-yl]phenyl]butan-1-one Openeye Name: 1-[3-fluoro-4-[4-(2-fluoro-5-nitro-benzoyl)piperazin-1-yl]phenyl]butan-1-one CAS Name: 1-[3-fluoro-4-[4-[(2-fluoro-5-nitrophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-butanone IUPAC Name: 1-[3-fluoro-4-[4-(2-fluoro-5-nitrobenzoyl)piperazin-1-yl]phenyl]butan-1-one Traditional Name: 1-[3-fluoro-4-[4-(2-fluoro-5-nitro-benzoyl)piperazino]phenyl]butan-1-one Formula: C21H21F2N3O4 MolecularWeight: 417.405946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F2N3O4/c1-2-3-20(27)14-4-7-19(18(23)12-14)24-8-10-25(11-9-24)21(28)16-13-15(26(29)30)5-6-17(16)22/h4-7,12-13H,2-3,8-11H2,1H3