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

Systemtic Name: (E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)-1-[4-(2-pyridylmethyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3,7-dimethyl-5-benzofuranyl)-1-[4-(2-pyridinylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3,7-dimethyl-1-benzofuran-5-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-3,7-dimethyl-benzofuran-5-yl)-1-[4-(2-pyridylmethyl)piperazino]but-2-en-1-one Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C(C(=C(C=C12)C(=CC(=O)N3CCN(CC3)CC4=CC=CC=N4)C)OC)C

Isomeric SMILES

CC1=COC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)CC4=CC=CC=N4)/C)OC)C

InChI

InChI=1S/C25H29N3O3/c1-17(21-14-22-18(2)16-31-25(22)19(3)24(21)30-4)13-23(29)28-11-9-27(10-12-28)15-20-7-5-6-8-26-20/h5-8,13-14,16H,9-12,15H2,1-4H3/b17-13+