[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-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 [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 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-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C31H27N5O4 MolecularWeight: 533.57718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C)C5=CC=CC=C5

InChI

InChI=1S/C31H27N5O4/c1-19-28-26(31(39)40-20(2)30(38)33-24-16-14-23(15-17-24)32-21(3)37)18-27(22-10-6-4-7-11-22)34-29(28)36(35-19)25-12-8-5-9-13-25/h4-18,20H,1-3H3,(H,32,37)(H,33,38)