2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazino]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H30N6O2/c30-22(28-11-13-29(14-12-28)23-24-5-1-6-25-23)18-27-9-7-26(8-10-27)17-19-2-3-21-20(16-19)4-15-31-21/h1-3,5-6,16H,4,7-15,17-18H2