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

Systemtic Name: 6-[2-[(2-oxidanylidene-3-prop-1-en-2-yl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]hexanenitrile Openeye Name: 6-[2-[(3-isopropenyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]hexanenitrile CAS Name: 6-[2-[[3-(1-methylethenyl)-2-oxo-1-benzimidazolyl]methyl]-1-benzimidazolyl]hexanenitrile IUPAC Name: 6-[2-[(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]hexanenitrile Traditional Name: 6-[2-[(3-isopropenyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-1-yl]hexanenitrile Formula: C24H25N5O MolecularWeight: 399.4882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCCCC#N

Isomeric SMILES

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCCCC#N

InChI

InChI=1S/C24H25N5O/c1-18(2)29-22-14-8-7-13-21(22)28(24(29)30)17-23-26-19-11-5-6-12-20(19)27(23)16-10-4-3-9-15-25/h5-8,11-14H,1,3-4,9-10,16-17H2,2H3