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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methoxyphenyl)-1-piperazinyl]-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(2-methoxyphenyl)piperazino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C25H23F4N3O4 MolecularWeight: 505.461433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C4C(=C3C(F)(F)F)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C4C(=C3C(F)(F)F)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C25H23F4N3O4/c1-36-19-5-3-2-4-18(19)30-8-10-31(11-9-30)22-17(26)12-15-21(20(22)25(27,28)29)32(14-6-7-14)13-16(23(15)33)24(34)35/h2-5,12-14H,6-11H2,1H3,(H,34,35)