2-(3,4-dimethoxyphenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-isopropyl-valeronitrile Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1CC2=CC(=C(C=C2CN1)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCC1CC2=CC(=C(C=C2CN1)OC)OC)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-18(2)27(17-28,21-9-10-23(30-3)26(15-21)33-6)11-7-8-22-12-19-13-24(31-4)25(32-5)14-20(19)16-29-22/h9-10,13-15,18,22,29H,7-8,11-12,16H2,1-6H3