N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(3-methoxy-5-nitrophenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-(3-methoxy-5-nitro-phenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C21H14F3N5O4 MolecularWeight: 457.36217

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N5O4/c1-33-15-8-13(7-14(9-15)29(31)32)25-20(30)17-11-19-26-16(12-5-3-2-4-6-12)10-18(21(22,23)24)28(19)27-17/h2-11H,1H3,(H,25,30)