(E)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one

Systemtic Name: (E)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-[4-(4-acetylphenyl)piperazino]-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)but-2-en-1-one Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)C)OC)C

Isomeric SMILES

CC1=COC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C)/C)OC)C

InChI

InChI=1S/C27H30N2O4/c1-17(23-15-24-18(2)16-33-27(24)19(3)26(23)32-5)14-25(31)29-12-10-28(11-13-29)22-8-6-21(7-9-22)20(4)30/h6-9,14-16H,10-13H2,1-5H3/b17-14+