2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanenitrile Openeye Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]acetonitrile CAS Name: 2-[4-[2-(1-imidazolyl)ethoxy]phenyl]acetonitrile IUPAC Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]acetonitrile Traditional Name: 2-[4-(2-imidazol-1-ylethoxy)phenyl]acetonitrile Formula: C13H13N3O MolecularWeight: 227.26182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)OCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1CC#N)OCCN2C=CN=C2

InChI

InChI=1S/C13H13N3O/c14-6-5-12-1-3-13(4-2-12)17-10-9-16-8-7-15-11-16/h1-4,7-8,11H,5,9-10H2