ethyl 8-cyano-4-[[4-(2-methylpropanoylamino)-2-(trifluoromethyl)phenyl]amino]quinoline-3-carboxylate

Systemtic Name: ethyl 8-cyano-4-[[4-(2-methylpropanoylamino)-2-(trifluoromethyl)phenyl]amino]quinoline-3-carboxylate Openeye Name: ethyl 8-cyano-4-[4-(2-methylpropanoylamino)-2-(trifluoromethyl)anilino]quinoline-3-carboxylate CAS Name: 8-cyano-4-[4-[(2-methyl-1-oxopropyl)amino]-2-(trifluoromethyl)anilino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-4-[4-(2-methylpropanoylamino)-2-(trifluoromethyl)anilino]quinoline-3-carboxylate Traditional Name: 8-cyano-4-[4-(isobutyrylamino)-2-(trifluoromethyl)anilino]quinoline-3-carboxylic acid ethyl ester Formula: C24H21F3N4O3 MolecularWeight: 470.44375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)NC3=C(C=C(C=C3)NC(=O)C(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C#N)NC3=C(C=C(C=C3)NC(=O)C(C)C)C(F)(F)F

InChI

InChI=1S/C24H21F3N4O3/c1-4-34-23(33)17-12-29-20-14(11-28)6-5-7-16(20)21(17)31-19-9-8-15(30-22(32)13(2)3)10-18(19)24(25,26)27/h5-10,12-13H,4H2,1-3H3,(H,29,31)(H,30,32)