6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-1-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(4-methylpiperazino)-1-[5-(4-methylpiperazino)-2-pyridyl]quinoline-3-carboxylic acid Formula: C25H29FN6O3 MolecularWeight: 480.534563

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CN=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CN=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C)F)C(=O)O

InChI

InChI=1S/C25H29FN6O3/c1-28-5-9-30(10-6-28)17-3-4-23(27-15-17)32-16-19(25(34)35)24(33)18-13-20(26)22(14-21(18)32)31-11-7-29(2)8-12-31/h3-4,13-16H,5-12H2,1-2H3,(H,34,35)