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

Systemtic Name: 6-fluoranyl-1-[(4-methylphenyl)methyl]-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(p-tolylmethyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[(4-methylphenyl)methyl]-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[(4-methylphenyl)methyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-methylbenzyl)-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)F)C(=O)O

InChI

InChI=1S/C23H24FN3O3/c1-15-3-5-16(6-4-15)13-27-14-18(23(29)30)22(28)17-11-19(24)21(12-20(17)27)26-9-7-25(2)8-10-26/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,30)