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

Systemtic Name: 6-fluoranyl-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-methoxyphenyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-methoxyphenyl)-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H22FN3O4 MolecularWeight: 411.426183

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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)C4=CC=C(C=C4)OC)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)OC)F

InChI

InChI=1S/C22H22FN3O4/c1-24-7-9-25(10-8-24)20-12-19-16(11-18(20)23)21(27)17(22(28)29)13-26(19)14-3-5-15(30-2)6-4-14/h3-6,11-13H,7-10H2,1-2H3,(H,28,29)