(3,5-dimethoxy-4-phenylmethoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dimethoxy-4-phenylmethoxy-phenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (4-benzyloxy-3,5-dimethoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (4-benzoxy-3,5-dimethoxy-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C25H26N4O6 MolecularWeight: 478.49714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O6/c1-33-21-14-19(15-22(34-2)24(21)35-17-18-6-4-3-5-7-18)25(30)28-12-10-27(11-13-28)20-8-9-23(26-16-20)29(31)32/h3-9,14-16H,10-13,17H2,1-2H3