ethyl 4-[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinolin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-ethyl-4-keto-6-(trifluoromethyl)quinoline-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22F3N3O4 MolecularWeight: 425.40159

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H22F3N3O4/c1-3-24-12-15(17(27)14-11-13(20(21,22)23)5-6-16(14)24)18(28)25-7-9-26(10-8-25)19(29)30-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3