6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)quinoline-3-carboxylic acid Openeye Name: 1-(1-benzyl-2-hydroxy-2-oxo-ethyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1-benzyl-2-hydroxy-2-keto-ethyl)-6,8-difluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C24H23F2N3O5 MolecularWeight: 471.453326

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(CC4=CC=CC=C4)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C(CC4=CC=CC=C4)C(=O)O)F

InChI

InChI=1S/C24H23F2N3O5/c1-27-7-9-28(10-8-27)21-17(25)12-15-20(19(21)26)29(13-16(22(15)30)23(31)32)18(24(33)34)11-14-5-3-2-4-6-14/h2-6,12-13,18H,7-11H2,1H3,(H,31,32)(H,33,34)