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

Systemtic Name: (E)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(6-ethoxy-3-methyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-[4-(4-acetylphenyl)piperazino]-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-en-1-one Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-5-32-25-16-26-24(19(3)17-33-26)15-23(25)18(2)14-27(31)29-12-10-28(11-13-29)22-8-6-21(7-9-22)20(4)30/h6-9,14-17H,5,10-13H2,1-4H3/b18-14+