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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-benzamido-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 (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 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-benzamido-2-keto-ethyl) ester Formula: C29H22N4O4 MolecularWeight: 490.50938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCC(=O)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C4=CC=CC=C4)C(=O)OCC(=O)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O4/c34-26(32-28(35)22-14-8-3-9-15-22)19-37-29(36)23-16-25(21-12-6-2-7-13-21)31-27-24(23)17-30-33(27)18-20-10-4-1-5-11-20/h1-17H,18-19H2,(H,32,34,35)