2-(1H-benzimidazol-2-yl)-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-oxidanylidene-hexanenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-oxo-hexanenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-oxohexanenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-oxohexanenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-keto-hexanenitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

Isomeric SMILES

CCCC(=O)C(C#N)C1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H13N3O/c1-2-5-12(17)9(8-14)13-15-10-6-3-4-7-11(10)16-13/h3-4,6-7,9H,2,5H2,1H3,(H,15,16)