5-(6,7-dimethoxy-2-methyl-4-oxidanyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-(6,7-dimethoxy-2-methyl-4-oxidanyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-(4-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-(4-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(4-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-(4-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-isopropyl-valeronitrile Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1C(C2=CC(=C(C=C2CN1C)OC)OC)O)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCC1C(C2=CC(=C(C=C2CN1C)OC)OC)O)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H38N2O5/c1-18(2)28(17-29,20-10-11-23(32-4)25(14-20)34-6)12-8-9-22-27(31)21-15-26(35-7)24(33-5)13-19(21)16-30(22)3/h10-11,13-15,18,22,27,31H,8-9,12,16H2,1-7H3