(E)-3-(6-methoxy-7-methyl-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-7-methyl-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-7-methyl-3-phenyl-benzofuran-5-yl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-3-(6-methoxy-7-methyl-3-phenyl-5-benzofuranyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-7-methyl-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-7-methyl-3-phenyl-benzofuran-5-yl)-1-[4-(4-pyridylmethyl)piperazino]but-2-en-1-one Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1OC)C(=CC(=O)N3CCN(CC3)CC4=CC=NC=C4)C)C(=CO2)C5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC(=C1OC)/C(=C/C(=O)N3CCN(CC3)CC4=CC=NC=C4)/C)C(=CO2)C5=CC=CC=C5

InChI

InChI=1S/C30H31N3O3/c1-21(17-28(34)33-15-13-32(14-16-33)19-23-9-11-31-12-10-23)25-18-26-27(24-7-5-4-6-8-24)20-36-30(26)22(2)29(25)35-3/h4-12,17-18,20H,13-16,19H2,1-3H3/b21-17+