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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-5-9-14(2)23-19(27)13-29-22(28)17-12-18(16-10-7-6-8-11-16)24-21-20(17)15(3)25-26(21)4/h6-8,10-12,14H,5,9,13H2,1-4H3,(H,23,27)