3-bromanyl-N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-N-[(4-methoxyphenyl)methyl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-N-p-anisyl-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C20H14BrF3N4O2S MolecularWeight: 511.31497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=NN3C(=CC(=NC3=C2Br)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C20H14BrF3N4O2S/c1-30-12-6-4-11(5-7-12)10-25-19(29)17-16(21)18-26-13(14-3-2-8-31-14)9-15(20(22,23)24)28(18)27-17/h2-9H,10H2,1H3,(H,25,29)