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

Systemtic Name: 2-methyl-2-[3-(3-oxidanylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]propanenitrile Openeye Name: 2-[3-(3-hydroxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(3-hydroxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(3-hydroxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(3-hydroxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-propionitrile Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O/c1-19(2,12-20)15-9-13(4-3-7-24)8-14(10-15)16-5-6-21-18-17(16)11-22-23-18/h5-6,8-11,24H,3-4,7H2,1-2H3,(H,21,22,23)