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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N5O3/c1-2-3-8-22-17(27)14-10-16-23-13(9-15(18(19,20)21)25(16)24-14)11-4-6-12(7-5-11)26(28)29/h4-7,9-10H,2-3,8H2,1H3,(H,22,27)