2-[3-(2-cyanopropan-2-yl)-5-oxidanyl-2-(pyridin-3-ylmethyl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[3-(2-cyanopropan-2-yl)-5-oxidanyl-2-(pyridin-3-ylmethyl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(1-cyano-1-methyl-ethyl)-5-hydroxy-2-(3-pyridylmethyl)phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(2-cyanopropan-2-yl)-5-hydroxy-2-(3-pyridinylmethyl)phenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-hydroxy-2-(pyridin-3-ylmethyl)phenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(1-cyano-1-methyl-ethyl)-5-hydroxy-2-(3-pyridylmethyl)phenyl]-2-methyl-propionitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1CC2=CN=CC=C2)C(C)(C)C#N)O

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1CC2=CN=CC=C2)C(C)(C)C#N)O

InChI

InChI=1S/C20H21N3O/c1-19(2,12-21)17-9-15(24)10-18(20(3,4)13-22)16(17)8-14-6-5-7-23-11-14/h5-7,9-11,24H,8H2,1-4H3