1-[2-(azepan-2-yl)ethyl]-2-(1-ethyl-5-nitro-imidazol-2-yl)benzimidazole

Systemtic Name: 1-[2-(azepan-2-yl)ethyl]-2-(1-ethyl-5-nitro-imidazol-2-yl)benzimidazole Openeye Name: 1-[2-(azepan-2-yl)ethyl]-2-(1-ethyl-5-nitro-imidazol-2-yl)benzimidazole CAS Name: 1-[2-(2-azepanyl)ethyl]-2-(1-ethyl-5-nitro-2-imidazolyl)benzimidazole IUPAC Name: 1-[2-(azepan-2-yl)ethyl]-2-(1-ethyl-5-nitroimidazol-2-yl)benzimidazole Traditional Name: 1-[2-(azepan-2-yl)ethyl]-2-(1-ethyl-5-nitro-imidazol-2-yl)benzimidazole Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1C2=NC3=CC=CC=C3N2CCC4CCCCCN4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CN=C1C2=NC3=CC=CC=C3N2CCC4CCCCCN4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O2/c1-2-24-18(26(27)28)14-22-19(24)20-23-16-9-5-6-10-17(16)25(20)13-11-15-8-4-3-7-12-21-15/h5-6,9-10,14-15,21H,2-4,7-8,11-13H2,1H3