(4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(6-methoxy-3-pyridazinyl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(6-methoxypyridazin-3-yl)piperazino]methanone Formula: C18H21N5O6 MolecularWeight: 403.38924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H21N5O6/c1-27-14-10-12(13(23(25)26)11-15(14)28-2)18(24)22-8-6-21(7-9-22)16-4-5-17(29-3)20-19-16/h4-5,10-11H,6-9H2,1-3H3