4-(1-imidazol-1-yl-2-oxidanyl-ethyl)benzenecarbonitrile

Systemtic Name: 4-(1-imidazol-1-yl-2-oxidanyl-ethyl)benzenecarbonitrile Openeye Name: 4-(2-hydroxy-1-imidazol-1-yl-ethyl)benzonitrile CAS Name: 4-[2-hydroxy-1-(1-imidazolyl)ethyl]benzonitrile IUPAC Name: 4-(2-hydroxy-1-imidazol-1-ylethyl)benzonitrile Traditional Name: 4-(2-hydroxy-1-imidazol-1-yl-ethyl)benzonitrile Formula: C12H11N3O MolecularWeight: 213.23524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CO)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CO)N2C=CN=C2

InChI

InChI=1S/C12H11N3O/c13-7-10-1-3-11(4-2-10)12(8-16)15-6-5-14-9-15/h1-6,9,12,16H,8H2