[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3/c1-17(25(31)28-20-12-13-20)33-26(32)21-14-23(19-10-6-3-7-11-19)29-24-22(21)15-27-30(24)16-18-8-4-2-5-9-18/h2-11,14-15,17,20H,12-13,16H2,1H3,(H,28,31)