[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H16ClN3O4 MolecularWeight: 457.86524

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=C3C(=O)C4=CC=C(C=C4)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)Cl)CC#N

InChI

InChI=1S/C25H16ClN3O4/c26-17-11-9-16(10-12-17)23(30)18-5-1-2-6-19(18)25(32)33-15-22-28-21-8-4-3-7-20(21)24(31)29(22)14-13-27/h1-12H,14-15H2