1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-7-[(4-methylpiperazin-1-yl)amino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[(4-methylpiperazin-1-yl)amino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[(4-methyl-1-piperazinyl)amino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-7-[(4-methylpiperazin-1-yl)amino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-7-[(4-methylpiperazino)amino]quinoline-3-carboxylic acid Formula: C21H19F3N4O3 MolecularWeight: 432.39577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O3/c1-26-4-6-27(7-5-26)25-17-10-19-13(9-15(17)23)20(29)14(21(30)31)11-28(19)18-3-2-12(22)8-16(18)24/h2-3,8-11,25H,4-7H2,1H3,(H,30,31)