6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanenitrile

Systemtic Name: 6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]hexanenitrile Openeye Name: 6-[3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]hexanenitrile CAS Name: 6-[3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]hexanenitrile IUPAC Name: 6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanenitrile Traditional Name: 6-[3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]hexanenitrile Formula: C26H31N5O MolecularWeight: 429.55724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCCCC#N

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CCCCCC#N

InChI

InChI=1S/C26H31N5O/c1-20(2)15-18-29-22-12-6-5-11-21(22)28-25(29)19-31-24-14-8-7-13-23(24)30(26(31)32)17-10-4-3-9-16-27/h5-8,11-14,20H,3-4,9-10,15,17-19H2,1-2H3