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

Systemtic Name: 6-fluoranyl-1-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(p-tolyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-methylphenyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(p-tolyl)quinoline-3-carboxylic acid Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)F)C(=O)O

InChI

InChI=1S/C22H22FN3O3/c1-14-3-5-15(6-4-14)26-13-17(22(28)29)21(27)16-11-18(23)20(12-19(16)26)25-9-7-24(2)8-10-25/h3-6,11-13H,7-10H2,1-2H3,(H,28,29)