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

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-3,6-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(4-chlorobenzyl)-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid methyl ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2CC3=CC=C(C=C3)Cl)C)C(=C1)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C(=NN2CC3=CC=C(C=C3)Cl)C)C(=C1)C(=O)OC

InChI

InChI=1S/C17H16ClN3O2/c1-10-8-14(17(22)23-3)15-11(2)20-21(16(15)19-10)9-12-4-6-13(18)7-5-12/h4-8H,9H2,1-3H3