3-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzonitrile CAS Name: 3-[(2-butyl-5,6-dimethyl-1-benzimidazolyl)methyl]benzonitrile IUPAC Name: 3-[(2-butyl-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile Traditional Name: 3-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzonitrile Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3)C#N)C=C(C(=C2)C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3)C#N)C=C(C(=C2)C)C

InChI

InChI=1S/C21H23N3/c1-4-5-9-21-23-19-10-15(2)16(3)11-20(19)24(21)14-18-8-6-7-17(12-18)13-22/h6-8,10-12H,4-5,9,14H2,1-3H3