[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)C2=CN=C3C(=C2)C=NN3C(C)C

InChI

InChI=1S/C20H22N4O3/c1-12(2)24-19-15(10-22-24)8-16(9-21-19)20(26)27-11-18(25)23-17-7-13(3)5-6-14(17)4/h5-10,12H,11H2,1-4H3,(H,23,25)