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

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(2-phenylaziridin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-phenylaziridin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(2-phenyl-1-aziridinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-phenylaziridin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-(2-phenylethylenimin-1-yl)quinoline-3-carboxylic acid Formula: C23H23FN4O3 MolecularWeight: 422.452123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23FN4O3/c1-25-7-9-26(10-8-25)20-12-19-16(11-18(20)24)22(29)17(23(30)31)13-27(19)28-14-21(28)15-5-3-2-4-6-15/h2-6,11-13,21H,7-10,14H2,1H3,(H,30,31)