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

Systemtic Name: 1-(2,6-dimethylphenyl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,6-dimethylphenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,6-dimethylphenyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,6-dimethylphenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,6-dimethylphenyl)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O3/c1-14-5-4-6-15(2)21(14)27-13-17(23(29)30)22(28)16-11-18(24)20(12-19(16)27)26-9-7-25(3)8-10-26/h4-6,11-13H,7-10H2,1-3H3,(H,29,30)