(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-(4-phenethyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-(4-phenethylpiperazino)but-2-en-1-one Formula: C31H32N2O3 MolecularWeight: 480.59738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CCC2=CC=CC=C2)C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)CCC2=CC=CC=C2)/C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H32N2O3/c1-23(19-31(34)33-17-15-32(16-18-33)14-13-24-9-5-3-6-10-24)26-20-27-28(25-11-7-4-8-12-25)22-36-30(27)21-29(26)35-2/h3-12,19-22H,13-18H2,1-2H3/b23-19+