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

Systemtic Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-[4-(4-pyridylmethyl)piperazino]but-2-en-1-one Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CC2=CC=NC=C2)C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)CC2=CC=NC=C2)/C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N3O3/c1-21(16-29(33)32-14-12-31(13-15-32)19-22-8-10-30-11-9-22)24-17-25-26(23-6-4-3-5-7-23)20-35-28(25)18-27(24)34-2/h3-11,16-18,20H,12-15,19H2,1-2H3/b21-16+