2-[4-methoxy-3-(2-methyl-4-oxidanyl-1,3-dihydroisoquinolin-4-yl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[4-methoxy-3-(2-methyl-4-oxidanyl-1,3-dihydroisoquinolin-4-yl)phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(4-hydroxy-2-methyl-1,3-dihydroisoquinolin-4-yl)-4-methoxy-phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(4-hydroxy-2-methyl-1,3-dihydroisoquinolin-4-yl)-4-methoxyphenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(4-hydroxy-2-methyl-1,3-dihydroisoquinolin-4-yl)-4-methoxyphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(4-hydroxy-2-methyl-1,3-dihydroisoquinolin-4-yl)-4-methoxy-phenyl]-2-methyl-propionitrile Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C(C=C1)OC)C2(CN(CC3=CC=CC=C32)C)O

Isomeric SMILES

CC(C)(C#N)C1=CC(=C(C=C1)OC)C2(CN(CC3=CC=CC=C32)C)O

InChI

InChI=1S/C21H24N2O2/c1-20(2,13-22)16-9-10-19(25-4)18(11-16)21(24)14-23(3)12-15-7-5-6-8-17(15)21/h5-11,24H,12,14H2,1-4H3