8-fluoranyl-1-[[4-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[4-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridyl]phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[4-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[4-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[4-[6-(4-methylpiperazino)-3-pyridyl]benzyl]quinoline-3-carboxylic acid Formula: C27H25FN4O3 MolecularWeight: 472.510803

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C(=CC=C5)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C(=CC=C5)F)C(=O)O

InChI

InChI=1S/C27H25FN4O3/c1-30-11-13-31(14-12-30)24-10-9-20(15-29-24)19-7-5-18(6-8-19)16-32-17-22(27(34)35)26(33)21-3-2-4-23(28)25(21)32/h2-10,15,17H,11-14,16H2,1H3,(H,34,35)