ethyl 3-bromanyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: ethyl 3-bromanyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: ethyl 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 3-bromo-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid ethyl ester Formula: C17H13BrF3N3O3 MolecularWeight: 444.20263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C17H13BrF3N3O3/c1-3-27-16(25)14-13(18)15-22-11(9-4-6-10(26-2)7-5-9)8-12(17(19,20)21)24(15)23-14/h4-8H,3H2,1-2H3