(2-cyanophenyl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,6-di(propan-2-yl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid (2-cyanobenzyl) ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O2/c1-13(2)19-9-17(18-11-23-25(14(3)4)20(18)24-19)21(26)27-12-16-8-6-5-7-15(16)10-22/h5-9,11,13-14H,12H2,1-4H3