4-[4-(1H-imidazol-5-yl)butanoyl]benzenecarbonitrile

Systemtic Name: 4-[4-(1H-imidazol-5-yl)butanoyl]benzenecarbonitrile Openeye Name: 4-[4-(1H-imidazol-5-yl)butanoyl]benzonitrile CAS Name: 4-[4-(1H-imidazol-5-yl)-1-oxobutyl]benzonitrile IUPAC Name: 4-[4-(1H-imidazol-5-yl)butanoyl]benzonitrile Traditional Name: 4-[4-(1H-imidazol-5-yl)butanoyl]benzonitrile Formula: C14H13N3O MolecularWeight: 239.27252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CCCC2=CN=CN2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CCCC2=CN=CN2

InChI

InChI=1S/C14H13N3O/c15-8-11-4-6-12(7-5-11)14(18)3-1-2-13-9-16-10-17-13/h4-7,9-10H,1-3H2,(H,16,17)