[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-ethyl-3,6-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 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-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 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-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCN1C2=C(C(=N1)C)C(=CC(=N2)C)C(=O)OCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4O3/c1-5-25-20-19(15(4)24-25)17(10-14(3)23-20)21(27)28-12-18(26)22-11-16-8-6-13(2)7-9-16/h6-10H,5,11-12H2,1-4H3,(H,22,26)