2-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: 2-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: 2-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: 2-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: 2-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: 2-(1-adamantylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H26N2O2/c1-23-18-4-3-16(8-19(18)24-2)17(12-21)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,17,22H,5-7,9-11H2,1-2H3