(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate CAS Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate Traditional Name: 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C22H17F3N4O4 MolecularWeight: 458.38999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=NN(C=C3OC)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=NN(C=C3OC)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N4O4/c1-12-5-3-8-15-18(12)26-17(27-20(15)30)11-33-21(31)19-16(32-2)10-29(28-19)14-7-4-6-13(9-14)22(23,24)25/h3-10H,11H2,1-2H3,(H,26,27,30)