2-[4-[1-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-[1-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethyl ethanoate Openeye Name: 2-[4-[1-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-[1-[2-(1-methyl-5-nitro-2-imidazolyl)-1-benzimidazolyl]ethyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[1-[2-(1-methyl-5-nitroimidazol-2-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[4-[1-[2-(1-methyl-5-nitro-imidazol-2-yl)benzimidazol-1-yl]ethyl]piperazino]ethyl ester Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCN(CC1)CCOC(=O)C)N2C3=CC=CC=C3N=C2C4=NC=C(N4C)[N+](=O)[O-]

Isomeric SMILES

CC(N1CCN(CC1)CCOC(=O)C)N2C3=CC=CC=C3N=C2C4=NC=C(N4C)[N+](=O)[O-]

InChI

InChI=1S/C21H27N7O4/c1-15(26-10-8-25(9-11-26)12-13-32-16(2)29)27-18-7-5-4-6-17(18)23-21(27)20-22-14-19(24(20)3)28(30)31/h4-7,14-15H,8-13H2,1-3H3