[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1,6-diphenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C29H24N4O3 MolecularWeight: 476.52586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C4=CC=CC=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O3/c1-19-10-9-13-22(16-19)30-26(34)18-36-29(35)24-17-25(21-11-5-3-6-12-21)31-28-27(24)20(2)32-33(28)23-14-7-4-8-15-23/h3-17H,18H2,1-2H3,(H,30,34)