[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3/c1-17(2)27-23(30)16-32-25(31)20-13-22(19-11-7-4-8-12-19)28-24-21(20)14-26-29(24)15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,27,30)