1-[7-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone

Systemtic Name: 1-[7-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone Openeye Name: 1-[7-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzofuran-2-yl]ethanone CAS Name: 1-[7-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]-2-benzofuranyl]ethanone IUPAC Name: 1-[7-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-benzofuran-2-yl]ethanone Traditional Name: 1-[7-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxybenzofuran-2-yl]ethanone Formula: C23H20N6O5 MolecularWeight: 460.4421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(=O)C1=CC2=C(O1)C(=CC=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C23H20N6O5/c1-15(30)18-13-16-5-4-6-17(21(16)33-18)34-23-20(29(31)32)22(25-14-26-23)28-11-9-27(10-12-28)19-7-2-3-8-24-19/h2-8,13-14H,9-12H2,1H3