5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)cyclooctane-1-carbonitrile

Systemtic Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)cyclooctane-1-carbonitrile Openeye Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)cyclooctanecarbonitrile CAS Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)-1-cyclooctanecarbonitrile IUPAC Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)cyclooctane-1-carbonitrile Traditional Name: 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(3,4-dimethoxyphenyl)cyclooctanecarbonitrile Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCCC(CCC2)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCCC(CCC2)N3CCC4=CC(=C(C=C4C3)OC)OC)C#N)OC

InChI

InChI=1S/C28H36N2O4/c1-31-24-10-9-22(17-27(24)34-4)28(19-29)12-5-7-23(8-6-13-28)30-14-11-20-15-25(32-2)26(33-3)16-21(20)18-30/h9-10,15-17,23H,5-8,11-14,18H2,1-4H3