4-(5-methoxy-2-oxidanyl-phenyl)-1-[4-[4-(5-methoxy-2-oxidanyl-phenyl)-4-phenyl-butanoyl]-1,4-diazepan-1-yl]-4-phenyl-butan-1-one

Systemtic Name: 4-(5-methoxy-2-oxidanyl-phenyl)-1-[4-[4-(5-methoxy-2-oxidanyl-phenyl)-4-phenyl-butanoyl]-1,4-diazepan-1-yl]-4-phenyl-butan-1-one Openeye Name: 4-(2-hydroxy-5-methoxy-phenyl)-1-[4-[4-(2-hydroxy-5-methoxy-phenyl)-4-phenyl-butanoyl]-1,4-diazepan-1-yl]-4-phenyl-butan-1-one CAS Name: 4-(2-hydroxy-5-methoxyphenyl)-1-[4-[4-(2-hydroxy-5-methoxyphenyl)-1-oxo-4-phenylbutyl]-1,4-diazepan-1-yl]-4-phenyl-1-butanone IUPAC Name: 4-(2-hydroxy-5-methoxyphenyl)-1-[4-[4-(2-hydroxy-5-methoxyphenyl)-4-phenylbutanoyl]-1,4-diazepan-1-yl]-4-phenylbutan-1-one Traditional Name: 4-(2-hydroxy-5-methoxy-phenyl)-1-[4-[4-(2-hydroxy-5-methoxy-phenyl)-4-phenyl-butanoyl]-1,4-diazepan-1-yl]-4-phenyl-butan-1-one Formula: C39H44N2O6 MolecularWeight: 636.77646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(CCC(=O)N2CCCN(CC2)C(=O)CCC(C3=CC=CC=C3)C4=C(C=CC(=C4)OC)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(CCC(=O)N2CCCN(CC2)C(=O)CCC(C3=CC=CC=C3)C4=C(C=CC(=C4)OC)O)C5=CC=CC=C5

InChI

InChI=1S/C39H44N2O6/c1-46-30-14-18-36(42)34(26-30)32(28-10-5-3-6-11-28)16-20-38(44)40-22-9-23-41(25-24-40)39(45)21-17-33(29-12-7-4-8-13-29)35-27-31(47-2)15-19-37(35)43/h3-8,10-15,18-19,26-27,32-33,42-43H,9,16-17,20-25H2,1-2H3