2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazino]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-16-2-4-19(13-20(16)26(28)29)23-22(27)15-25-9-7-24(8-10-25)14-17-3-5-21-18(12-17)6-11-30-21/h2-5,12-13H,6-11,14-15H2,1H3,(H,23,27)