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

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-[(4-methyl-1-piperazinyl)amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-[(4-methylpiperazin-1-yl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-[(4-methylpiperazino)amino]quinoline-3-carboxylic acid Formula: C21H20F2N4O3 MolecularWeight: 414.405306

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CN1CCN(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C21H20F2N4O3/c1-25-6-8-26(9-7-25)24-18-11-19-15(10-17(18)23)20(28)16(21(29)30)12-27(19)14-4-2-13(22)3-5-14/h2-5,10-12,24H,6-9H2,1H3,(H,29,30)