5-tert-butyl-N-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 5-tert-butyl-N-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 5-tert-butyl-N-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 5-tert-butyl-N-(4-nitrophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5-tert-butyl-N-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 5-tert-butyl-N-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C18H16F3N5O3 MolecularWeight: 407.34655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=NN2C(=C1)C(F)(F)F)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N5O3/c1-17(2,3)13-9-14(18(19,20)21)25-15(23-13)8-12(24-25)16(27)22-10-4-6-11(7-5-10)26(28)29/h4-9H,1-3H3,(H,22,27)