(2-fluorophenyl)methyl 3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-fluorophenyl)methyl 3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-fluorophenyl)methyl 3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-fluorobenzyl) ester Formula: C22H18FN3O2 MolecularWeight: 375.395623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)OCC4=CC=CC=C4F

Isomeric SMILES

CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)OCC4=CC=CC=C4F

InChI

InChI=1S/C22H18FN3O2/c1-14-12-18(22(27)28-13-16-8-6-7-11-19(16)23)20-15(2)25-26(21(20)24-14)17-9-4-3-5-10-17/h3-12H,13H2,1-2H3