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

Systemtic Name: 5-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[1-adamantylmethyl(methyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CC12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CC12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H42N2O2/c1-20(2)28(18-29,24-7-8-25(31-4)26(14-24)32-5)9-6-10-30(3)19-27-15-21-11-22(16-27)13-23(12-21)17-27/h7-8,14,20-23H,6,9-13,15-17,19H2,1-5H3