1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenyl-1-piperazinyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-phenylpiperazino)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C24H21F4N3O3 MolecularWeight: 475.435453

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCN(CC4)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)N4CCN(CC4)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H21F4N3O3/c25-18-12-16-20(31(15-6-7-15)13-17(22(16)32)23(33)34)19(24(26,27)28)21(18)30-10-8-29(9-11-30)14-4-2-1-3-5-14/h1-5,12-13,15H,6-11H2,(H,33,34)