5-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNC12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C(CCCNC12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H38N2O2/c1-18(2)26(17-27,22-6-7-23(29-3)24(13-22)30-4)8-5-9-28-25-14-19-10-20(15-25)12-21(11-19)16-25/h6-7,13,18-21,28H,5,8-12,14-16H2,1-4H3