ethyl 4-[[1-(dipropylamino)-1-oxidanylidene-propan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[[1-(dipropylamino)-1-oxidanylidene-propan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[[2-(dipropylamino)-1-methyl-2-oxo-ethyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-7-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[[2-(dipropylamino)-2-keto-1-methyl-ethyl]amino]-7-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C22H28F3N3O3 MolecularWeight: 439.47123

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(C)NC1=C2C=CC(=CC2=NC=C1C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCCN(CCC)C(=O)C(C)NC1=C2C=CC(=CC2=NC=C1C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C22H28F3N3O3/c1-5-10-28(11-6-2)20(29)14(4)27-19-16-9-8-15(22(23,24)25)12-18(16)26-13-17(19)21(30)31-7-3/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,27)