6,8-bis(fluoranyl)-1-(4-methylphenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(4-methylphenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-4-oxo-7-piperazin-1-yl-1-(p-tolyl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(4-methylphenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-piperazino-1-(p-tolyl)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)F)N4CCNCC4)F)C(=O)O

Isomeric SMILES

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

InChI

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