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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4=C(C=C(C=C4)F)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC3=C(C=C2)C(=O)C(=CN3C4=C(C=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)14-3-4-15-19(11-14)26(12-16(20(15)27)21(28)29)18-5-2-13(22)10-17(18)23/h2-5,10-12H,6-9H2,1H3,(H,28,29)