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

Systemtic Name: 1-(4-acetamido-2-fluoranyl-phenyl)-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetamido-2-fluoro-phenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-acetamido-2-fluorophenyl)-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetamido-2-fluorophenyl)-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-acetamido-2-fluoro-phenyl)-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C23H22F2N4O4 MolecularWeight: 456.441986

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)F)C(=O)O)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C)F)C(=O)O)F

InChI

InChI=1S/C23H22F2N4O4/c1-13(30)26-14-3-4-19(17(24)9-14)29-12-16(23(32)33)22(31)15-10-18(25)21(11-20(15)29)28-7-5-27(2)6-8-28/h3-4,9-12H,5-8H2,1-2H3,(H,26,30)(H,32,33)