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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[2-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[2-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxylic acid Formula: C23H21F4N3O3 MolecularWeight: 463.424753

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4C(F)(F)F)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C4=CC=CC=C4C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C23H21F4N3O3/c1-2-28-13-15(22(32)33)21(31)14-11-17(24)20(12-19(14)28)30-9-7-29(8-10-30)18-6-4-3-5-16(18)23(25,26)27/h3-6,11-13H,2,7-10H2,1H3,(H,32,33)