(E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-3-(6-ethoxy-3-methyl-5-benzofuranyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)-1-[4-(3-pyridylmethyl)piperazino]but-2-en-1-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)N3CCN(CC3)CC4=CN=CC=C4)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)N3CCN(CC3)CC4=CN=CC=C4)/C

InChI

InChI=1S/C25H29N3O3/c1-4-30-23-14-24-22(19(3)17-31-24)13-21(23)18(2)12-25(29)28-10-8-27(9-11-28)16-20-6-5-7-26-15-20/h5-7,12-15,17H,4,8-11,16H2,1-3H3/b18-12+