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

Systemtic Name: 3-[3-(2-cyanopropyl)-5-[oxidanyl(pyridin-3-yl)methyl]phenyl]-2-methyl-propanenitrile Openeye Name: 3-[3-(2-cyanopropyl)-5-[hydroxy(3-pyridyl)methyl]phenyl]-2-methyl-propanenitrile CAS Name: 3-[3-(2-cyanopropyl)-5-[hydroxy(3-pyridinyl)methyl]phenyl]-2-methylpropanenitrile IUPAC Name: 3-[3-(2-cyanopropyl)-5-[hydroxy(pyridin-3-yl)methyl]phenyl]-2-methylpropanenitrile Traditional Name: 3-[3-(2-cyanopropyl)-5-[hydroxy(3-pyridyl)methyl]phenyl]-2-methyl-propionitrile Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)C(C2=CN=CC=C2)O)CC(C)C#N)C#N

Isomeric SMILES

CC(CC1=CC(=CC(=C1)C(C2=CN=CC=C2)O)CC(C)C#N)C#N

InChI

InChI=1S/C20H21N3O/c1-14(11-21)6-16-8-17(7-15(2)12-22)10-19(9-16)20(24)18-4-3-5-23-13-18/h3-5,8-10,13-15,20,24H,6-7H2,1-2H3