1-ethyl-6-fluoranyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(2-methoxyphenyl)piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C24H23F4N3O4 MolecularWeight: 493.450733

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCN(CC3)C4=CC=CC=C4OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)C(F)(F)F)N3CCN(CC3)C4=CC=CC=C4OC)F)C(=O)O

InChI

InChI=1S/C24H23F4N3O4/c1-3-29-13-15(23(33)34)22(32)14-12-16(25)21(19(20(14)29)24(26,27)28)31-10-8-30(9-11-31)17-6-4-5-7-18(17)35-2/h4-7,12-13H,3,8-11H2,1-2H3,(H,33,34)