3-cyanopropyl 6-(4-methylphenyl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3-cyanopropyl 6-(4-methylphenyl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 3-cyanopropyl 1-isopropyl-6-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(4-methylphenyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 3-cyanopropyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OCCCC#N

InChI

InChI=1S/C21H22N4O2/c1-14(2)25-20-18(13-23-25)17(21(26)27-11-5-4-10-22)12-19(24-20)16-8-6-15(3)7-9-16/h6-9,12-14H,4-5,11H2,1-3H3