[2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(2,2-diphenylethylamino)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(2,2-diphenylethylamino)-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2,2-diphenylethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,2-diphenylethylamino)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(2,2-diphenylethylamino)-2-keto-ethyl] ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC(=O)NCC(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

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