6-fluoranyl-1-(4-fluorophenyl)-7-(1-methylpiperazin-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CN1CCNCC1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

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