5-[2-butyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile

Systemtic Name: 5-[2-butyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile Openeye Name: 5-[2-butyl-4-(3,4-dimethoxyphenyl)-4-isopropyl-6,7-dimethoxy-1,3-dihydroisoquinolin-1-yl]pentanenitrile CAS Name: 5-[2-butyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile IUPAC Name: 5-[2-butyl-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-propan-2-yl-1,3-dihydroisoquinolin-1-yl]pentanenitrile Traditional Name: 5-[2-butyl-4-(3,4-dimethoxyphenyl)-4-isopropyl-6,7-dimethoxy-1,3-dihydroisoquinolin-1-yl]valeronitrile Formula: C31H44N2O4 MolecularWeight: 508.69206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(C2=CC(=C(C=C2C1CCCCC#N)OC)OC)(C3=CC(=C(C=C3)OC)OC)C(C)C

Isomeric SMILES

CCCCN1CC(C2=CC(=C(C=C2C1CCCCC#N)OC)OC)(C3=CC(=C(C=C3)OC)OC)C(C)C

InChI

InChI=1S/C31H44N2O4/c1-8-9-17-33-21-31(22(2)3,23-14-15-27(34-4)28(18-23)35-5)25-20-30(37-7)29(36-6)19-24(25)26(33)13-11-10-12-16-32/h14-15,18-20,22,26H,8-13,17,21H2,1-7H3