1-[[1-(4-azanylidene-4-azido-butyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one

Systemtic Name: 1-[[1-(4-azanylidene-4-azido-butyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one Openeye Name: 4-[2-[(3-isopropenyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]butanimidoyl azide CAS Name: 1-[[1-(4-azido-4-iminobutyl)-2-benzimidazolyl]methyl]-3-(1-methylethenyl)-2-benzimidazolone IUPAC Name: 4-[2-[(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]butanimidoyl azide Traditional Name: 1-[[1-(4-azido-4-imino-butyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one Formula: C22H22N8O MolecularWeight: 414.46308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCC(=N)N=[N+]=[N-]

Isomeric SMILES

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCCC(=N)N=[N+]=[N-]

InChI

InChI=1S/C22H22N8O/c1-15(2)30-19-11-6-5-10-18(19)29(22(30)31)14-21-25-16-8-3-4-9-17(16)28(21)13-7-12-20(23)26-27-24/h3-6,8-11,23H,1,7,12-14H2,2H3