5-(5,8-diethoxy-6,7-dimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-(5,8-diethoxy-6,7-dimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[5,8-diethoxy-6,7-dimethoxy-1-(1-methylbutyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-(5,8-diethoxy-6,7-dimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-(5,8-diethoxy-6,7-dimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[5,8-diethoxy-6,7-dimethoxy-1-(1-methylbutyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C42H58N2O6 MolecularWeight: 686.91972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1C2=C(CC(N1C3=CC=CC=C3)CCCC(C#N)(C4=CC(=C(C=C4)OC)OC)C(C)C)C(=C(C(=C2OCC)OC)OC)OCC

Isomeric SMILES

CCCC(C)C1C2=C(CC(N1C3=CC=CC=C3)CCCC(C#N)(C4=CC(=C(C=C4)OC)OC)C(C)C)C(=C(C(=C2OCC)OC)OC)OCC

InChI

InChI=1S/C42H58N2O6/c1-11-18-29(6)37-36-33(38(49-12-2)40(47-9)41(48-10)39(36)50-13-3)26-32(44(37)31-19-15-14-16-20-31)21-17-24-42(27-43,28(4)5)30-22-23-34(45-7)35(25-30)46-8/h14-16,19-20,22-23,25,28-29,32,37H,11-13,17-18,21,24,26H2,1-10H3