methyl 4-(4-methylphenyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-3-oxidanylidene-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate Openeye Name: methyl 3-oxo-2-phenyl-4-(p-tolyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylate CAS Name: 4-(4-methylphenyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate Traditional Name: 3-keto-2-phenyl-4-(p-tolyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)N(N3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)N(N3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H17N3O3/c1-13-8-10-14(11-9-13)16-12-17(21(26)27-2)22-19-18(16)20(25)24(23-19)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23)