2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O4/c1-14-3-5-18-16(13-29-21(18)15(14)2)11-20(26)24-9-7-23(8-10-24)17-4-6-19(22-12-17)25(27)28/h3-6,12-13H,7-11H2,1-2H3