[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-propan-2-ylbenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-propan-2-ylbenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H19N3O3/c1-14(2)15-7-9-16(10-8-15)21(26)27-13-19-23-18-6-4-3-5-17(18)20(25)24(19)12-11-22/h3-10,14H,12-13H2,1-2H3