Catalog Number:
AG002F0G
Chemical Name:
1H-1,4-Diazepine, hexahydro-1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)-4-penten-1-yl]-, hydrochloride (1:2)
CAS Number:
191089-60-8
Molecular Formula:
C33H50Cl2N2O6
Molecular Weight:
641.6659
MDL Number:
MFCD28900671
IUPAC Name:
1,4-bis[(E)-5-(3,4,5-trimethoxyphenyl)pent-4-enyl]-1,4-diazepane;dihydrochloride
InChI:
InChI=1S/C33H48N2O6.2ClH/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4;;/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3;2*1H/b14-9+,15-10+;;
InChI Key:
JKAQFPBRMVEHBD-CHBZAFCASA-N
SMILES:
COc1cc(/C=C/CCCN2CCCN(CC2)CCC/C=C/c2cc(OC)c(c(c2)OC)OC)cc(c1OC)OC.Cl.Cl
