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

Systemtic Name: (E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3-methyl-5-benzofuranyl)-1-(4-phenethyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3-methyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-3-methyl-benzofuran-5-yl)-1-(4-phenethylpiperazino)but-2-en-1-one Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC(=C(C=C12)C(=CC(=O)N3CCN(CC3)CCC4=CC=CC=C4)C)OC

Isomeric SMILES

CC1=COC2=CC(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)CCC4=CC=CC=C4)/C)OC

InChI

InChI=1S/C26H30N2O3/c1-19(22-16-23-20(2)18-31-25(23)17-24(22)30-3)15-26(29)28-13-11-27(12-14-28)10-9-21-7-5-4-6-8-21/h4-8,15-18H,9-14H2,1-3H3/b19-15+