(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C20H16N4O3 MolecularWeight: 360.36604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3/c1-12-6-5-9-14-18(12)21-17(22-19(14)25)11-27-20(26)16-10-15(23-24-16)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,23,24)(H,21,22,25)