(2-oxidanylidenecyclohexyl) 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-oxidanylidenecyclohexyl) 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-oxocyclohexyl) 6-methyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-methyl-1-(4-methylbenzyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-ketocyclohexyl) ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)OC4CCCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)OC4CCCCC4=O

InChI

InChI=1S/C22H23N3O3/c1-14-7-9-16(10-8-14)13-25-21-18(12-23-25)17(11-15(2)24-21)22(27)28-20-6-4-3-5-19(20)26/h7-12,20H,3-6,13H2,1-2H3