5-tert-butyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-tert-butyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-tert-butyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-tert-butyl-3-phenyl-2-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-tert-butyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-tert-butyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H15F3N3O- MolecularWeight: 334.31571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O/c1-16(2,3)11-9-12(24)23-15(21-11)13(10-7-5-4-6-8-10)14(22-23)17(18,19)20/h4-9,24H,1-3H3/p-1