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

Systemtic Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C18H14F6N3O- MolecularWeight: 402.313679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C(=C1)N=C(C=C2[O-])C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN2C(=C1)N=C(C=C2[O-])C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H15F6N3O/c1-16(2,3)13-8-14-25-12(7-15(28)27(14)26-13)9-4-10(17(19,20)21)6-11(5-9)18(22,23)24/h4-8,28H,1-3H3/p-1