5-methyl-3-phenyl-6-(phenylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-methyl-3-phenyl-6-(phenylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-benzyl-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-methyl-3-phenyl-6-(phenylmethyl)-2-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-benzyl-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-benzyl-5-methyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C21H15F3N3O- MolecularWeight: 382.35851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)[O-])C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1CC3=CC=CC=C3)[O-])C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C21H16F3N3O/c1-13-16(12-14-8-4-2-5-9-14)20(28)27-19(25-13)17(15-10-6-3-7-11-15)18(26-27)21(22,23)24/h2-11,28H,12H2,1H3/p-1