(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one CAS Name: (E)-3-(6-methoxy-2,3,7-trimethyl-5-benzofuranyl)-1-(4-phenethyl-1-piperazinyl)-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-1-(4-phenethylpiperazin-1-yl)but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)-1-(4-phenethylpiperazino)but-2-en-1-one Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)C(=CC(=O)N3CCN(CC3)CCC4=CC=CC=C4)C)OC)C)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)/C(=C/C(=O)N3CCN(CC3)CCC4=CC=CC=C4)/C)OC)C)C

InChI

InChI=1S/C28H34N2O3/c1-19(24-18-25-20(2)22(4)33-28(25)21(3)27(24)32-5)17-26(31)30-15-13-29(14-16-30)12-11-23-9-7-6-8-10-23/h6-10,17-18H,11-16H2,1-5H3/b19-17+