cyanomethyl 1-[(4-chlorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: cyanomethyl 1-[(4-chlorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: cyanomethyl 1-[(4-chlorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-[(4-chlorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(4-chlorobenzyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid cyanomethyl ester Formula: C22H15ClN4O2 MolecularWeight: 402.8331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=C(C=C4)Cl)C(=C2)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=C(C=C4)Cl)C(=C2)C(=O)OCC#N

InChI

InChI=1S/C22H15ClN4O2/c23-17-8-6-15(7-9-17)14-27-21-19(13-25-27)18(22(28)29-11-10-24)12-20(26-21)16-4-2-1-3-5-16/h1-9,12-13H,11,14H2