2-(1-ethyl-5-nitro-imidazol-2-yl)-1-[1-[4-(2-phenylmethoxyethyl)piperazin-1-yl]ethyl]benzimidazole

Systemtic Name: 2-(1-ethyl-5-nitro-imidazol-2-yl)-1-[1-[4-(2-phenylmethoxyethyl)piperazin-1-yl]ethyl]benzimidazole Openeye Name: 1-[1-[4-(2-benzyloxyethyl)piperazin-1-yl]ethyl]-2-(1-ethyl-5-nitro-imidazol-2-yl)benzimidazole CAS Name: 2-(1-ethyl-5-nitro-2-imidazolyl)-1-[1-[4-(2-phenylmethoxyethyl)-1-piperazinyl]ethyl]benzimidazole IUPAC Name: 2-(1-ethyl-5-nitroimidazol-2-yl)-1-[1-[4-(2-phenylmethoxyethyl)piperazin-1-yl]ethyl]benzimidazole Traditional Name: 1-[1-[4-(2-benzoxyethyl)piperazino]ethyl]-2-(1-ethyl-5-nitro-imidazol-2-yl)benzimidazole Formula: C27H33N7O3 MolecularWeight: 503.59602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1C2=NC3=CC=CC=C3N2C(C)N4CCN(CC4)CCOCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1C2=NC3=CC=CC=C3N2C(C)N4CCN(CC4)CCOCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O3/c1-3-32-25(34(35)36)19-28-26(32)27-29-23-11-7-8-12-24(23)33(27)21(2)31-15-13-30(14-16-31)17-18-37-20-22-9-5-4-6-10-22/h4-12,19,21H,3,13-18,20H2,1-2H3