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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-amino-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-amino-2-oxoethyl) ester IUPAC Name: (2-amino-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-amino-2-keto-ethyl) ester Formula: C22H18N4O3 MolecularWeight: 386.40332

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3/c23-20(27)14-29-22(28)17-11-19(16-9-5-2-6-10-16)25-21-18(17)12-24-26(21)13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H2,23,27)