4-[[5-(2,2-dimethylpropanoyl)-1-methyl-benzimidazol-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2,2-dimethylpropanoyl)-1-methyl-benzimidazol-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(2,2-dimethylpropanoyl)-1-methyl-benzimidazol-2-yl]methyl]benzonitrile CAS Name: 4-[[5-(2,2-dimethyl-1-oxopropyl)-1-methyl-2-benzimidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-(2,2-dimethylpropanoyl)-1-methylbenzimidazol-2-yl]methyl]benzonitrile Traditional Name: 4-[(1-methyl-5-pivaloyl-benzimidazol-2-yl)methyl]benzonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC(C)(C)C(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H21N3O/c1-21(2,3)20(25)16-9-10-18-17(12-16)23-19(24(18)4)11-14-5-7-15(13-22)8-6-14/h5-10,12H,11H2,1-4H3