ethyl 4-(4-cyanophenyl)-5-ethanoyl-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-5-ethanoyl-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate Openeye Name: ethyl 5-acetyl-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate CAS Name: 5-acetyl-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylate Traditional Name: 5-acetyl-4-(4-cyanophenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyridine-3-carboxylic acid ethyl ester Formula: C25H21F3N2O3 MolecularWeight: 454.44105

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C(C1C2=CC=C(C=C2)C#N)C(=O)C)C)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN(C(=C(C1C2=CC=C(C=C2)C#N)C(=O)C)C)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C25H21F3N2O3/c1-4-33-24(32)21-14-30(20-7-5-6-19(12-20)25(26,27)28)15(2)22(16(3)31)23(21)18-10-8-17(13-29)9-11-18/h5-12,14,23H,4H2,1-3H3