2-(2-diazanylbenzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide

Systemtic Name: 2-(2-diazanylbenzimidazol-1-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-(2-hydrazinobenzimidazol-1-yl)ethanone bromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-(2-hydrazinyl-1-benzimidazolyl)ethanone bromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-(2-hydrazinylbenzimidazol-1-yl)ethanone bromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-(2-hydrazinobenzimidazol-1-yl)ethanone bromide Formula: C17H18BrN4O3- MolecularWeight: 406.25382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NN)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NN)OC.[Br-]

InChI

InChI=1S/C17H18N4O3.BrH/c1-23-15-8-7-11(9-16(15)24-2)14(22)10-21-13-6-4-3-5-12(13)19-17(21)20-18;/h3-9H,10,18H2,1-2H3,(H,19,20);1H/p-1