4-[2-(5-methylimidazol-1-yl)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(5-methylimidazol-1-yl)ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(5-methylimidazol-1-yl)acetyl]benzonitrile CAS Name: 4-[2-(5-methyl-1-imidazolyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(5-methylimidazol-1-yl)acetyl]benzonitrile Traditional Name: 4-[2-(5-methylimidazol-1-yl)acetyl]benzonitrile Formula: C13H11N3O MolecularWeight: 225.24594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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