phenyl 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: phenyl 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: phenyl 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid phenyl ester IUPAC Name: phenyl 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid phenyl ester Formula: C22H16F3N3O4 MolecularWeight: 443.37535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)OC4=CC=CC=C4)OC

InChI

InChI=1S/C22H16F3N3O4/c1-30-17-9-8-13(10-18(17)31-2)16-11-19(22(23,24)25)28-20(27-16)15(12-26-28)21(29)32-14-6-4-3-5-7-14/h3-12H,1-2H3