2-[3-(hydroxymethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-butanenitrile

Systemtic Name: 2-[3-(hydroxymethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-butanenitrile Openeye Name: 2-[3-(hydroxymethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-butanenitrile CAS Name: 2-[3-(hydroxymethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylbutanenitrile IUPAC Name: 2-[3-(hydroxymethyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylbutanenitrile Traditional Name: 2-methyl-2-[3-methylol-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]butyronitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#N)C1=CC(=CC(=C1)CO)C2=C3C=NNC3=NC=C2

Isomeric SMILES

CCC(C)(C#N)C1=CC(=CC(=C1)CO)C2=C3C=NNC3=NC=C2

InChI

InChI=1S/C18H18N4O/c1-3-18(2,11-19)14-7-12(10-23)6-13(8-14)15-4-5-20-17-16(15)9-21-22-17/h4-9,23H,3,10H2,1-2H3,(H,20,21,22)