4-(2-imidazol-1-ylethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-imidazol-1-ylethanoyl)benzenecarbonitrile Openeye Name: 4-(2-imidazol-1-ylacetyl)benzonitrile CAS Name: 4-[2-(1-imidazolyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-(2-imidazol-1-ylacetyl)benzonitrile Traditional Name: 4-(2-imidazol-1-ylacetyl)benzonitrile Formula: C12H9N3O MolecularWeight: 211.21936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)CN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)CN2C=CN=C2

InChI

InChI=1S/C12H9N3O/c13-7-10-1-3-11(4-2-10)12(16)8-15-6-5-14-9-15/h1-6,9H,8H2