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

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-5-methyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-5-methyl-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H21F2N3O3 MolecularWeight: 413.417246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1F)N3CCN(CC3)C)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=CC(=C1F)N3CCN(CC3)C)N(C=C(C2=O)C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21F2N3O3/c1-13-19-17(11-18(20(13)24)26-9-7-25(2)8-10-26)27(12-16(21(19)28)22(29)30)15-5-3-14(23)4-6-15/h3-6,11-12H,7-10H2,1-2H3,(H,29,30)