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

Systemtic Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide IUPAC Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-[4-[3-(4-ethoxyphenoxy)-5-nitro-phenoxy]phenyl]-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide Formula: C33H23F3N6O6 MolecularWeight: 656.56753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)NC(=O)C4=NN5C(=CC(=NC5=N4)C6=CC=CC=C6)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)OC3=CC=C(C=C3)NC(=O)C4=NN5C(=CC(=NC5=N4)C6=CC=CC=C6)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C33H23F3N6O6/c1-2-46-23-12-14-25(15-13-23)48-27-17-22(42(44)45)16-26(18-27)47-24-10-8-21(9-11-24)37-31(43)30-39-32-38-28(20-6-4-3-5-7-20)19-29(33(34,35)36)41(32)40-30/h3-19H,2H2,1H3,(H,37,43)