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

Systemtic Name: 1-[[1-(3-azanylidene-3-azido-propyl)benzimidazol-2-yl]methyl]-3-prop-1-en-2-yl-benzimidazol-2-one Openeye Name: 3-[2-[(3-isopropenyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide CAS Name: 1-[[1-(3-azido-3-iminopropyl)-2-benzimidazolyl]methyl]-3-(1-methylethenyl)-2-benzimidazolone IUPAC Name: 3-[2-[(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide Traditional Name: 1-[[1-(3-azido-3-imino-propyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one Formula: C21H20N8O MolecularWeight: 400.4365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC(=N)N=[N+]=[N-]

Isomeric SMILES

CC(=C)N1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCC(=N)N=[N+]=[N-]

InChI

InChI=1S/C21H20N8O/c1-14(2)29-18-10-6-5-9-17(18)28(21(29)30)13-20-24-15-7-3-4-8-16(15)27(20)12-11-19(22)25-26-23/h3-10,22H,1,11-13H2,2H3