7-(4-cyclohexa-1,5-dien-3-yn-1-ylpiperidin-1-yl)-6-fluoranyl-1-methyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 7-(4-cyclohexa-1,5-dien-3-yn-1-ylpiperidin-1-yl)-6-fluoranyl-1-methyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-(4-cyclohexa-1,5-dien-3-yn-1-yl-1-piperidyl)-6-fluoro-1-methyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 7-[4-(1-cyclohexa-1,5-dien-3-ynyl)-1-piperidinyl]-6-fluoro-1-methyl-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 7-(4-cyclohexa-1,5-dien-3-yn-1-ylpiperidin-1-yl)-6-fluoro-1-methyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-(4-cyclohexa-1,5-dien-3-yn-1-ylpiperidino)-6-fluoro-4-keto-1-methyl-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C23H18F4N2O3 MolecularWeight: 446.394233

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCC(CC3)C4=CC#CC=C4)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCC(CC3)C4=CC#CC=C4)F)C(=O)O

InChI

InChI=1S/C23H18F4N2O3/c1-28-12-16(22(31)32)21(30)15-11-17(24)20(18(19(15)28)23(25,26)27)29-9-7-14(8-10-29)13-5-3-2-4-6-13/h3,5-6,11-12,14H,7-10H2,1H3,(H,31,32)