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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CNC(C2=CC(=C(C=C21)OC)OC)CCCCC#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C1(CNC(C2=CC(=C(C=C21)OC)OC)CCCCC#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-18(2)27(19-11-12-23(30-3)24(14-19)31-4)17-29-22(10-8-7-9-13-28)20-15-25(32-5)26(33-6)16-21(20)27/h11-12,14-16,18,22,29H,7-10,17H2,1-6H3