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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)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-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-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-chloro-6-fluoro-benzyl) ester Formula: C22H17ClFN3O2 MolecularWeight: 409.840683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H17ClFN3O2/c1-13-11-16(22(28)29-12-17-18(23)9-6-10-19(17)24)20-14(2)26-27(21(20)25-13)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3