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

Systemtic Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)but-2-en-1-one Formula: C25H27NO3 MolecularWeight: 389.48678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCCCCC1)C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCCCCC1)/C2=C(C=C3C(=C2)C(=CO3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H27NO3/c1-18(14-25(27)26-12-8-3-4-9-13-26)20-15-21-22(19-10-6-5-7-11-19)17-29-24(21)16-23(20)28-2/h5-7,10-11,14-17H,3-4,8-9,12-13H2,1-2H3/b18-14+