4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1-carbonitrile

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1-carbonitrile Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexanecarbonitrile CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(3,4-dimethoxyphenyl)ethyl]cyclohexane-1-carbonitrile Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-homoveratryl-cyclohexanecarbonitrile Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2(CCC(CC2)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2(CCC(CC2)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N)OC

InChI

InChI=1S/C28H36N2O4/c1-31-24-6-5-20(15-25(24)32-2)7-11-28(19-29)12-8-23(9-13-28)30-14-10-21-16-26(33-3)27(34-4)17-22(21)18-30/h5-6,15-17,23H,7-14,18H2,1-4H3