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

Systemtic Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoranyl-1-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-[5-(4-methylpiperazin-1-yl)-2-pyridyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1-[5-(4-methyl-1-piperazinyl)-2-pyridinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-1-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3,5-dimethylpiperazino)-6-fluoro-4-keto-1-[5-(4-methylpiperazino)-2-pyridyl]quinoline-3-carboxylic acid Formula: C26H31FN6O3 MolecularWeight: 494.561143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)N5CCN(CC5)C)F

Isomeric SMILES

CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)N5CCN(CC5)C)F

InChI

InChI=1S/C26H31FN6O3/c1-16-13-32(14-17(2)29-16)23-11-22-19(10-21(23)27)25(34)20(26(35)36)15-33(22)24-5-4-18(12-28-24)31-8-6-30(3)7-9-31/h4-5,10-12,15-17,29H,6-9,13-14H2,1-3H3,(H,35,36)