[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(trifluoromethyl)benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-(trifluoromethyl)benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H12F3N3O3 MolecularWeight: 387.31209

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)CC#N

InChI

InChI=1S/C19H12F3N3O3/c20-19(21,22)13-5-3-4-12(10-13)18(27)28-11-16-24-15-7-2-1-6-14(15)17(26)25(16)9-8-23/h1-7,10H,9,11H2