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

Systemtic Name: 6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(2-phenylaziridin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-phenylaziridin-1-yl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(2-phenyl-1-aziridinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-phenylaziridin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-(4-methylpiperazino)-1-(2-phenylethylenimin-1-yl)quinoline-3-carboxylic acid Formula: C23H22F2N4O3 MolecularWeight: 440.442586

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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)N4CC4C5=CC=CC=C5)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)N4CC4C5=CC=CC=C5)F

InChI

InChI=1S/C23H22F2N4O3/c1-26-7-9-27(10-8-26)21-17(24)11-15-20(19(21)25)29(12-16(22(15)30)23(31)32)28-13-18(28)14-5-3-2-4-6-14/h2-6,11-12,18H,7-10,13H2,1H3,(H,31,32)