2-[2-(3,4-dimethylphenyl)benzimidazol-1-yl]ethanenitrile

Systemtic Name: 2-[2-(3,4-dimethylphenyl)benzimidazol-1-yl]ethanenitrile Openeye Name: 2-[2-(3,4-dimethylphenyl)benzimidazol-1-yl]acetonitrile CAS Name: 2-[2-(3,4-dimethylphenyl)-1-benzimidazolyl]acetonitrile IUPAC Name: 2-[2-(3,4-dimethylphenyl)benzimidazol-1-yl]acetonitrile Traditional Name: 2-[2-(3,4-dimethylphenyl)benzimidazol-1-yl]acetonitrile Formula: C17H15N3 MolecularWeight: 261.3211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CC#N)C

InChI

InChI=1S/C17H15N3/c1-12-7-8-14(11-13(12)2)17-19-15-5-3-4-6-16(15)20(17)10-9-18/h3-8,11H,10H2,1-2H3