3-[2-(2-methylimidazol-1-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 3-[2-(2-methylimidazol-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 3-[2-(2-methylimidazol-1-yl)acetyl]benzonitrile CAS Name: 3-[2-(2-methyl-1-imidazolyl)-1-oxoethyl]benzonitrile IUPAC Name: 3-[2-(2-methylimidazol-1-yl)acetyl]benzonitrile Traditional Name: 3-[2-(2-methylimidazol-1-yl)acetyl]benzonitrile Formula: C13H11N3O MolecularWeight: 225.24594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=NC=CN1CC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H11N3O/c1-10-15-5-6-16(10)9-13(17)12-4-2-3-11(7-12)8-14/h2-7H,9H2,1H3