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

Systemtic Name: 6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-1-quinolin-3-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-(3-quinolyl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-1-(3-quinolinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1-quinolin-3-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(3-methylpiperazino)-1-(3-quinolyl)quinoline-3-carboxylic acid Formula: C24H21FN4O3 MolecularWeight: 432.446943

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC5=CC=CC=C5N=C4)F

InChI

InChI=1S/C24H21FN4O3/c1-14-12-28(7-6-26-14)22-10-21-17(9-19(22)25)23(30)18(24(31)32)13-29(21)16-8-15-4-2-3-5-20(15)27-11-16/h2-5,8-11,13-14,26H,6-7,12H2,1H3,(H,31,32)