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

Systemtic Name: 2-[3-(2-ethyl-4-oxidanyl-1,3-dihydroisoquinolin-4-yl)-4-methoxy-phenyl]-2-methyl-propanenitrile Openeye Name: 2-[3-(2-ethyl-4-hydroxy-1,3-dihydroisoquinolin-4-yl)-4-methoxy-phenyl]-2-methyl-propanenitrile CAS Name: 2-[3-(2-ethyl-4-hydroxy-1,3-dihydroisoquinolin-4-yl)-4-methoxyphenyl]-2-methylpropanenitrile IUPAC Name: 2-[3-(2-ethyl-4-hydroxy-1,3-dihydroisoquinolin-4-yl)-4-methoxyphenyl]-2-methylpropanenitrile Traditional Name: 2-[3-(2-ethyl-4-hydroxy-1,3-dihydroisoquinolin-4-yl)-4-methoxy-phenyl]-2-methyl-propionitrile Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=CC=CC=C2C(C1)(C3=C(C=CC(=C3)C(C)(C)C#N)OC)O

Isomeric SMILES

CCN1CC2=CC=CC=C2C(C1)(C3=C(C=CC(=C3)C(C)(C)C#N)OC)O

InChI

InChI=1S/C22H26N2O2/c1-5-24-13-16-8-6-7-9-18(16)22(25,15-24)19-12-17(21(2,3)14-23)10-11-20(19)26-4/h6-12,25H,5,13,15H2,1-4H3