(2S)-2-(cycloheptylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile

Systemtic Name: (2S)-2-(cycloheptylamino)-2-(3,4-dimethoxyphenyl)ethanenitrile Openeye Name: (2S)-2-(cycloheptylamino)-2-(3,4-dimethoxyphenyl)acetonitrile CAS Name: (2S)-2-(cycloheptylamino)-2-(3,4-dimethoxyphenyl)acetonitrile IUPAC Name: (2S)-2-(cycloheptylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Traditional Name: (2S)-2-(cycloheptylamino)-2-(3,4-dimethoxyphenyl)acetonitrile Formula: C17H24N2O2 MolecularWeight: 288.38466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NC2CCCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C#N)NC2CCCCCC2)OC

InChI

InChI=1S/C17H24N2O2/c1-20-16-10-9-13(11-17(16)21-2)15(12-18)19-14-7-5-3-4-6-8-14/h9-11,14-15,19H,3-8H2,1-2H3/t15-/m1/s1