ethyl 4-[[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]amino]-6-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[[2-keto-2-(3-methylpiperidino)ethyl]amino]-6-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C21H24F3N3O3 MolecularWeight: 423.42877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N3CCCC(C3)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC(=O)N3CCCC(C3)C)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3/c1-3-30-20(29)16-10-25-17-7-6-14(21(22,23)24)9-15(17)19(16)26-11-18(28)27-8-4-5-13(2)12-27/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,25,26)