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

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-3,6-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H17ClFN3O2 MolecularWeight: 361.797883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H17ClFN3O2/c1-4-23-17-16(11(3)22-23)12(8-10(2)21-17)18(24)25-9-13-14(19)6-5-7-15(13)20/h5-8H,4,9H2,1-3H3