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

Systemtic Name: 1-[[1-(3-azanylidene-3-azido-propyl)benzimidazol-2-yl]methyl]-3-propan-2-yl-benzimidazol-2-one Openeye Name: 3-[2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide CAS Name: 1-[[1-(3-azido-3-iminopropyl)-2-benzimidazolyl]methyl]-3-propan-2-yl-2-benzimidazolone IUPAC Name: 3-[2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]propanimidoyl azide Traditional Name: 1-[[1-(3-azido-3-imino-propyl)benzimidazol-2-yl]methyl]-3-isopropyl-benzimidazol-2-one Formula: C21H22N8O MolecularWeight: 402.45238

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/C21H22N8O/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/h3-10,14,22H,11-13H2,1-2H3