3-(4-fluorophenyl)-2,5-dimethyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 3-(4-fluorophenyl)-2,5-dimethyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-benzyl-3-(4-fluorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 3-(4-fluorophenyl)-2,5-dimethyl-6-(phenylmethyl)-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-benzyl-3-(4-fluorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-benzyl-3-(4-fluorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-olate Formula: C21H17FN3O- MolecularWeight: 346.377583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18FN3O/c1-13-18(12-15-6-4-3-5-7-15)21(26)25-20(23-13)19(14(2)24-25)16-8-10-17(22)11-9-16/h3-11,26H,12H2,1-2H3/p-1