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

Systemtic Name: (E)-1-(azepan-1-yl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-[6-methoxy-3-(4-methylphenyl)-5-benzofuranyl]-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-[6-methoxy-3-(4-methylphenyl)-1-benzofuran-5-yl]but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-[6-methoxy-3-(p-tolyl)benzofuran-5-yl]but-2-en-1-one Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)C(=CC(=O)N4CCCCCC4)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=COC3=CC(=C(C=C32)/C(=C/C(=O)N4CCCCCC4)/C)OC

InChI

InChI=1S/C26H29NO3/c1-18-8-10-20(11-9-18)23-17-30-25-16-24(29-3)21(15-22(23)25)19(2)14-26(28)27-12-6-4-5-7-13-27/h8-11,14-17H,4-7,12-13H2,1-3H3/b19-14+