5-[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile Openeye Name: 5-[4-(3,4-dimethoxyphenyl)-2-ethyl-4-isopropyl-6,7-dimethoxy-1,3-dihydroisoquinolin-1-yl]pentanenitrile CAS Name: 5-[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile IUPAC Name: 5-[4-(3,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile Traditional Name: 5-[4-(3,4-dimethoxyphenyl)-2-ethyl-4-isopropyl-6,7-dimethoxy-1,3-dihydroisoquinolin-1-yl]valeronitrile Formula: C29H40N2O4 MolecularWeight: 480.6389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C2=CC(=C(C=C2C1CCCCC#N)OC)OC)(C3=CC(=C(C=C3)OC)OC)C(C)C

Isomeric SMILES

CCN1CC(C2=CC(=C(C=C2C1CCCCC#N)OC)OC)(C3=CC(=C(C=C3)OC)OC)C(C)C

InChI

InChI=1S/C29H40N2O4/c1-8-31-19-29(20(2)3,21-13-14-25(32-4)26(16-21)33-5)23-18-28(35-7)27(34-6)17-22(23)24(31)12-10-9-11-15-30/h13-14,16-18,20,24H,8-12,19H2,1-7H3