7-[bis(fluoranyl)methyl]-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-[bis(fluoranyl)methyl]-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-(difluoromethyl)-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-(difluoromethyl)-N-(3-methoxy-5-nitrophenyl)-5-phenyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(difluoromethyl)-N-(3-methoxy-5-nitrophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-(difluoromethyl)-N-(3-methoxy-5-nitro-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C21H15F2N5O4 MolecularWeight: 439.371706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H15F2N5O4/c1-32-15-8-13(7-14(9-15)28(30)31)25-21(29)16-11-24-27-18(19(22)23)10-17(26-20(16)27)12-5-3-2-4-6-12/h2-11,19H,1H3,(H,25,29)