(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(6-methoxy-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-methoxy-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-methoxy-3-methyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(6-methoxy-3-methyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)-1-(4-piperonylpiperazino)but-2-en-1-one Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC(=C(C=C12)C(=CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)OC

Isomeric SMILES

CC1=COC2=CC(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)/C)OC

InChI

InChI=1S/C26H28N2O5/c1-17(20-12-21-18(2)15-31-24(21)13-23(20)30-3)10-26(29)28-8-6-27(7-9-28)14-19-4-5-22-25(11-19)33-16-32-22/h4-5,10-13,15H,6-9,14,16H2,1-3H3/b17-10+