[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=C(N=C3C(=C2)C=NN3C(C)C)C

InChI

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