6-fluoranyl-1-(2-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-methyl-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoro-4-methyl-phenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoro-4-methylphenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoro-4-methyl-phenyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)F

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)F

InChI

InChI=1S/C21H19F2N3O3/c1-12-2-3-17(15(22)8-12)26-11-14(21(28)29)20(27)13-9-16(23)19(10-18(13)26)25-6-4-24-5-7-25/h2-3,8-11,24H,4-7H2,1H3,(H,28,29)