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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)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 [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 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-keto-2-piperidino-ethyl) ester Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-25(30-14-8-3-9-15-30)19-34-27(33)22-16-24(21-12-6-2-7-13-21)29-26-23(22)17-28-31(26)18-20-10-4-1-5-11-20/h1-2,4-7,10-13,16-17H,3,8-9,14-15,18-19H2