7-[bis(fluoranyl)methyl]-5-(4-methylphenyl)-N-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 7-[bis(fluoranyl)methyl]-5-(4-methylphenyl)-N-[3-nitro-5-[2,2,2-tris(fluoranyl)ethoxy]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 7-(difluoromethyl)-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-5-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 7-(difluoromethyl)-N-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-5-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C23H16F5N5O4 MolecularWeight: 521.396256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC(=C4)OCC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NC4=CC(=CC(=C4)OCC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H16F5N5O4/c1-12-2-4-13(5-3-12)18-9-19(20(24)25)32-21(31-18)17(10-29-32)22(34)30-14-6-15(33(35)36)8-16(7-14)37-11-23(26,27)28/h2-10,20H,11H2,1H3,(H,30,34)