[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C26H23N5O4 MolecularWeight: 469.49192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)NCCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)NCCC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O4/c1-17-24-21(26(33)35-16-23(32)28-14-6-13-27)15-22(18-9-11-20(34-2)12-10-18)29-25(24)31(30-17)19-7-4-3-5-8-19/h3-5,7-12,15H,6,14,16H2,1-2H3,(H,28,32)