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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c1-17(2)30-25-22(15-28-30)21(13-23(29-25)20-7-5-4-6-8-20)26(32)33-16-24(31)27-14-19-11-9-18(3)10-12-19/h4-13,15,17H,14,16H2,1-3H3,(H,27,31)