(E)-3-[3-(4-chlorophenyl)-6-ethoxy-1-benzofuran-5-yl]-1-(4-ethanoylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-6-ethoxy-1-benzofuran-5-yl]-1-(4-ethanoylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-(4-chlorophenyl)-6-ethoxy-benzofuran-5-yl]but-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[3-(4-chlorophenyl)-6-ethoxy-5-benzofuranyl]-2-buten-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-(4-chlorophenyl)-6-ethoxy-1-benzofuran-5-yl]but-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[3-(4-chlorophenyl)-6-ethoxy-benzofuran-5-yl]but-2-en-1-one Formula: C26H27ClN2O4 MolecularWeight: 466.95658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)Cl)C(=CC(=O)N4CCN(CC4)C(=O)C)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC=C2C3=CC=C(C=C3)Cl)/C(=C/C(=O)N4CCN(CC4)C(=O)C)/C

InChI

InChI=1S/C26H27ClN2O4/c1-4-32-24-15-25-22(23(16-33-25)19-5-7-20(27)8-6-19)14-21(24)17(2)13-26(31)29-11-9-28(10-12-29)18(3)30/h5-8,13-16H,4,9-12H2,1-3H3/b17-13+