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

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(2-pyridin-2-ylaziridin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-[2-(2-pyridyl)aziridin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-[2-(2-pyridinyl)-1-aziridinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(2-pyridin-2-ylaziridin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-[2-(2-pyridyl)ethylenimin-1-yl]quinoline-3-carboxylic acid Formula: C22H22FN5O3 MolecularWeight: 423.440183

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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=N5)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)N4CC4C5=CC=CC=N5)F

InChI

InChI=1S/C22H22FN5O3/c1-25-6-8-26(9-7-25)19-11-18-14(10-16(19)23)21(29)15(22(30)31)12-27(18)28-13-20(28)17-4-2-3-5-24-17/h2-5,10-12,20H,6-9,13H2,1H3,(H,30,31)