7-[2-[(2-oxidanylidene-3-prop-1-en-2-yl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]heptanenitrile

Systemtic Name: 7-[2-[(2-oxidanylidene-3-prop-1-en-2-yl-benzimidazol-1-yl)methyl]benzimidazol-1-yl]heptanenitrile Openeye Name: 7-[2-[(3-isopropenyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]heptanenitrile CAS Name: 7-[2-[[3-(1-methylethenyl)-2-oxo-1-benzimidazolyl]methyl]-1-benzimidazolyl]heptanenitrile IUPAC Name: 7-[2-[(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]heptanenitrile Traditional Name: 7-[2-[(3-isopropenyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-1-yl]enanthonitrile Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCCCCC#N

Isomeric SMILES

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCCCCC#N

InChI

InChI=1S/C25H27N5O/c1-19(2)30-23-15-9-8-14-22(23)29(25(30)31)18-24-27-20-12-6-7-13-21(20)28(24)17-11-5-3-4-10-16-26/h6-9,12-15H,1,3-5,10-11,17-18H2,2H3