3-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethanoyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)acetyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-(4,5-dimethoxy-2-nitrophenyl)-1-oxoethyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-(4,5-dimethoxy-2-nitrophenyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-(4,5-dimethoxy-2-nitro-phenyl)acetyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N4O6/c1-31-19-11-14(18(26(29)30)13-20(19)32-2)12-21(27)24-9-7-15(8-10-24)25-17-6-4-3-5-16(17)23-22(25)28/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,23,28)