3-bromanyl-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxy-phenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 3-bromanyl-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxy-phenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxy-phenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 3-bromo-5-(4-methoxyphenyl)-N-(3-nitro-5-phenoxy-phenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C27H17BrF3N5O5 MolecularWeight: 628.35359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC=C5)[N+](=O)[O-])Br

InChI

InChI=1S/C27H17BrF3N5O5/c1-40-18-9-7-15(8-10-18)21-14-22(27(29,30)31)35-25(33-21)23(28)24(34-35)26(37)32-16-11-17(36(38)39)13-20(12-16)41-19-5-3-2-4-6-19/h2-14H,1H3,(H,32,37)