2-(3,4-dimethoxyphenyl)-2-propan-2-yl-5-(6,7,8-trimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-propan-2-yl-5-(6,7,8-trimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[6,7,8-trimethoxy-1-(1-methylbutyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl]pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-2-propan-2-yl-5-(6,7,8-trimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-2-propan-2-yl-5-(6,7,8-trimethoxy-1-pentan-2-yl-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl)pentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-[6,7,8-trimethoxy-1-(1-methylbutyl)-2-phenyl-3,4-dihydro-1H-isoquinolin-3-yl]valeronitrile Formula: C39H52N2O5 MolecularWeight: 628.84058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1C2=C(C(=C(C=C2CC(N1C3=CC=CC=C3)CCCC(C#N)(C4=CC(=C(C=C4)OC)OC)C(C)C)OC)OC)OC

Isomeric SMILES

CCCC(C)C1C2=C(C(=C(C=C2CC(N1C3=CC=CC=C3)CCCC(C#N)(C4=CC(=C(C=C4)OC)OC)C(C)C)OC)OC)OC

InChI

InChI=1S/C39H52N2O5/c1-10-15-27(4)36-35-28(23-34(44-7)37(45-8)38(35)46-9)22-31(41(36)30-16-12-11-13-17-30)18-14-21-39(25-40,26(2)3)29-19-20-32(42-5)33(24-29)43-6/h11-13,16-17,19-20,23-24,26-27,31,36H,10,14-15,18,21-22H2,1-9H3