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

Systemtic Name: 4-(2-pyrazol-1-ylethanoyl)benzenecarbonitrile Openeye Name: 4-(2-pyrazol-1-ylacetyl)benzonitrile CAS Name: 4-[1-oxo-2-(1-pyrazolyl)ethyl]benzonitrile IUPAC Name: 4-(2-pyrazol-1-ylacetyl)benzonitrile Traditional Name: 4-(2-pyrazol-1-ylacetyl)benzonitrile Formula: C12H9N3O MolecularWeight: 211.21936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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