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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-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-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-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-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c1-16(2)30-25-22(14-27-30)21(13-23(29-25)19-8-6-5-7-9-19)26(32)33-15-24(31)28-20-11-10-17(3)18(4)12-20/h5-14,16H,15H2,1-4H3,(H,28,31)