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

Systemtic Name: 2-[3-(3-methoxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-butanenitrile Openeye Name: 2-[3-(3-methoxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-butanenitrile CAS Name: 2-[3-(3-methoxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylbutanenitrile IUPAC Name: 2-[3-(3-methoxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methylbutanenitrile Traditional Name: 2-[3-(3-methoxypropyl)-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-2-methyl-butyronitrile Formula: C21H24N4O MolecularWeight: 348.44146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-4-21(2,14-22)17-11-15(6-5-9-26-3)10-16(12-17)18-7-8-23-20-19(18)13-24-25-20/h7-8,10-13H,4-6,9H2,1-3H3,(H,23,24,25)