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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(butylamino)-2-oxo-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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