6-fluoranyl-1-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-7-(1-methyl-4-piperidyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-(1-methyl-4-piperidinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-(1-methyl-4-piperidyl)quinoline-3-carboxylic acid Formula: C22H20F2N2O3 MolecularWeight: 398.402606

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

Isomeric SMILES

CN1CCC(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F

InChI

InChI=1S/C22H20F2N2O3/c1-25-8-6-13(7-9-25)16-11-20-17(10-19(16)24)21(27)18(22(28)29)12-26(20)15-4-2-14(23)3-5-15/h2-5,10-13H,6-9H2,1H3,(H,28,29)