3-[2-(4-oxidanylidenebutan-2-yl)benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(4-oxidanylidenebutan-2-yl)benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(1-methyl-3-oxo-propyl)benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-(4-oxobutan-2-yl)-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-(4-oxobutan-2-yl)benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-(3-keto-1-methyl-propyl)benzimidazol-1-yl]propionitrile Formula: C14H15N3O MolecularWeight: 241.2884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C1=NC2=CC=CC=C2N1CCC#N

Isomeric SMILES

CC(CC=O)C1=NC2=CC=CC=C2N1CCC#N

InChI

InChI=1S/C14H15N3O/c1-11(7-10-18)14-16-12-5-2-3-6-13(12)17(14)9-4-8-15/h2-3,5-6,10-11H,4,7,9H2,1H3