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

Systemtic Name: (E)-1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-[3-(4-chlorophenyl)-6-methoxy-5-benzofuranyl]-2-buten-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-6-methoxy-1-benzofuran-5-yl]but-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-6-methoxy-benzofuran-5-yl]but-2-en-1-one Formula: C25H26ClNO3 MolecularWeight: 423.93184

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=C(C=C4)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO3/c1-17(13-25(28)27-11-5-3-4-6-12-27)20-14-21-22(18-7-9-19(26)10-8-18)16-30-24(21)15-23(20)29-2/h7-10,13-16H,3-6,11-12H2,1-2H3/b17-13+