(E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-ethanoylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-[3-(2,4-dimethylphenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-ethanoylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-(2,4-dimethylphenyl)-6-methoxy-benzofuran-5-yl]but-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[3-(2,4-dimethylphenyl)-6-methoxy-5-benzofuranyl]-2-buten-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[3-(2,4-dimethylphenyl)-6-methoxy-1-benzofuran-5-yl]but-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[3-(2,4-dimethylphenyl)-6-methoxy-benzofuran-5-yl]but-2-en-1-one Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCN(CC4)C(=O)C)C)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)N4CCN(CC4)C(=O)C)/C)OC)C

InChI

InChI=1S/C27H30N2O4/c1-17-6-7-21(18(2)12-17)24-16-33-26-15-25(32-5)22(14-23(24)26)19(3)13-27(31)29-10-8-28(9-11-29)20(4)30/h6-7,12-16H,8-11H2,1-5H3/b19-13+