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

Systemtic Name: 1-[2,4-bis(fluoranyl)-3-methyl-phenyl]-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluoro-3-methyl-phenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluoro-3-methylphenyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluoro-3-methylphenyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluoro-3-methyl-phenyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1F)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1F)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)F

InChI

InChI=1S/C21H18F3N3O3/c1-11-14(22)2-3-16(19(11)24)27-10-13(21(29)30)20(28)12-8-15(23)18(9-17(12)27)26-6-4-25-5-7-26/h2-3,8-10,25H,4-7H2,1H3,(H,29,30)