1-methyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-methyl-4-oxidanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-methyl-4-oxo-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 4-keto-1-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxylic acid Formula: C22H20F3N3O3 MolecularWeight: 431.40771

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H20F3N3O3/c1-26-13-18(21(30)31)20(29)17-6-5-16(12-19(17)26)28-9-7-27(8-10-28)15-4-2-3-14(11-15)22(23,24)25/h2-6,11-13H,7-10H2,1H3,(H,30,31)