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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxylic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-methyl-cinchoninic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C28H19ClN4O3 MolecularWeight: 494.92846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC(=CC=C3)Cl)C(=O)OCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C28H19ClN4O3/c1-17-25(20-9-2-4-11-22(20)32-26(17)18-7-6-8-19(29)15-18)28(35)36-16-24-31-23-12-5-3-10-21(23)27(34)33(24)14-13-30/h2-12,15H,14,16H2,1H3