6-fluoranyl-1-(4-fluorophenyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-5-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-5-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=CC(=C1F)N3CCNCC3)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)F

InChI

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