4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[4-(coumaran-5-ylmethyl)piperazino]methyl]-7-ethyl-coumarin Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H28N2O3/c1-2-18-3-5-22-21(15-25(28)30-24(22)14-18)17-27-10-8-26(9-11-27)16-19-4-6-23-20(13-19)7-12-29-23/h3-6,13-15H,2,7-12,16-17H2,1H3