(2E)-2-(1H-benzimidazol-2-yl)-2-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)ethanenitrile

Systemtic Name: (2E)-2-(1H-benzimidazol-2-yl)-2-(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)ethanenitrile Openeye Name: (2E)-2-(1H-benzimidazol-2-yl)-2-(3,3-dimethyl-5-oxo-cyclohexylidene)acetonitrile CAS Name: (2E)-2-(1H-benzimidazol-2-yl)-2-(3,3-dimethyl-5-oxocyclohexylidene)acetonitrile IUPAC Name: (2E)-2-(1H-benzimidazol-2-yl)-2-(3,3-dimethyl-5-oxocyclohexylidene)acetonitrile Traditional Name: (2E)-2-(1H-benzimidazol-2-yl)-2-(5-keto-3,3-dimethyl-cyclohexylidene)acetonitrile Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C#N)C2=NC3=CC=CC=C3N2)CC(=O)C1)C

Isomeric SMILES

CC1(C/C(=C(/C#N)\C2=NC3=CC=CC=C3N2)/CC(=O)C1)C

InChI

InChI=1S/C17H17N3O/c1-17(2)8-11(7-12(21)9-17)13(10-18)16-19-14-5-3-4-6-15(14)20-16/h3-6H,7-9H2,1-2H3,(H,19,20)/b13-11-