5-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[1-adamantyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C27H40N2O2 MolecularWeight: 424.6187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)C12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)C12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H40N2O2/c1-19(2)27(18-28,23-7-8-24(30-4)25(14-23)31-5)9-6-10-29(3)26-15-20-11-21(16-26)13-22(12-20)17-26/h7-8,14,19-22H,6,9-13,15-17H2,1-5H3