2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(benzofuran-2-carbonyl)piperazino]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N4O5/c1-15-5-4-7-17(26(29)30)21(15)23-20(27)14-24-9-11-25(12-10-24)22(28)19-13-16-6-2-3-8-18(16)31-19/h2-8,13H,9-12,14H2,1H3,(H,23,27)