2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: 2-(1-azepanyl)-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: 2-(azepan-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C#N)N2CCCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C#N)N2CCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-20-15-10-13(11-16(21-2)17(15)22-3)14(12-18)19-8-6-4-5-7-9-19/h10-11,14H,4-9H2,1-3H3