2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanenitrile

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanenitrile Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetonitrile CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetonitrile IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetonitrile Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetonitrile Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C#N)C2=C3C=CC=NC3=NN2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C#N)C2=C3C=CC=NC3=NN2

InChI

InChI=1S/C22H26N4O/c1-21(2,3)16-10-13(11-17(19(16)27)22(4,5)6)15(12-23)18-14-8-7-9-24-20(14)26-25-18/h7-11,15,27H,1-6H3,(H,24,25,26)