[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-23(2)19-5-4-18(14-20(19)26(28)29)22(27)25-10-8-24(9-11-25)15-16-3-6-21-17(13-16)7-12-30-21/h3-6,13-14H,7-12,15H2,1-2H3