(E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-phenylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-phenylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]-1-(4-phenylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-1-(4-phenyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]-1-(4-phenylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]-1-(4-phenylpiperazino)but-2-en-1-one Formula: C29H27ClN2O3 MolecularWeight: 486.98928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O3/c1-20(16-29(33)32-14-12-31(13-15-32)23-6-4-3-5-7-23)24-17-25-26(21-8-10-22(30)11-9-21)19-35-28(25)18-27(24)34-2/h3-11,16-19H,12-15H2,1-2H3/b20-16+