2-(4-chloranylphenoxy)-1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazino]ethanone Formula: C21H22ClN5O4 MolecularWeight: 443.88348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CN3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O4/c1-24-19-7-4-16(27(29)30)12-18(19)23-20(24)13-25-8-10-26(11-9-25)21(28)14-31-17-5-2-15(22)3-6-17/h2-7,12H,8-11,13-14H2,1H3