1-(3-methylbutyl)-2-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]benzimidazole-5-carbonitrile

Systemtic Name: 1-(3-methylbutyl)-2-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]benzimidazole-5-carbonitrile Openeye Name: 1-isopentyl-2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazole-5-carbonitrile CAS Name: 1-(3-methylbutyl)-2-[(2-oxo-3H-benzimidazol-1-yl)methyl]-5-benzimidazolecarbonitrile IUPAC Name: 1-(3-methylbutyl)-2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzimidazole-5-carbonitrile Traditional Name: 1-isoamyl-2-[(2-keto-3H-benzimidazol-1-yl)methyl]benzimidazole-5-carbonitrile Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1CN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C#N)N=C1CN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H21N5O/c1-14(2)9-10-25-19-8-7-15(12-22)11-17(19)23-20(25)13-26-18-6-4-3-5-16(18)24-21(26)27/h3-8,11,14H,9-10,13H2,1-2H3,(H,24,27)