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

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(6-ethoxy-3-methyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(6-ethoxy-3-methyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(6-ethoxy-3-methyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-3-(6-ethoxy-3-methyl-benzofuran-5-yl)-1-(4-piperonylpiperazino)but-2-en-1-one Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=COC2=C1)C)C(=CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC1=C(C=C2C(=COC2=C1)C)/C(=C/C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)/C

InChI

InChI=1S/C27H30N2O5/c1-4-31-24-14-25-22(19(3)16-32-25)13-21(24)18(2)11-27(30)29-9-7-28(8-10-29)15-20-5-6-23-26(12-20)34-17-33-23/h5-6,11-14,16H,4,7-10,15,17H2,1-3H3/b18-11+