Catalog Number:
AG001U73
Chemical Name:
2-Benzofurancarboxylic acid, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-, ethyl ester, hydrochloride (1:2)
CAS Number:
163521-09-3
Molecular Formula:
C28H32Cl2N4O3
Molecular Weight:
543.4847
MDL Number:
MFCD00940015
IUPAC Name:
ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate;dihydrochloride
InChI:
InChI=1S/C28H30N4O3.2ClH/c1-2-34-28(33)27-17-22-16-23(7-9-26(22)35-27)32-13-11-31(12-14-32)10-4-3-5-21-19-30-25-8-6-20(18-29)15-24(21)25;;/h6-9,15-17,19,30H,2-5,10-14H2,1H3;2*1H
InChI Key:
IUIWYNHWHWFSDU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1oc2c(c1)cc(cc2)N1CCN(CC1)CCCCc1c[nH]c2c1cc(C#N)cc2.Cl.Cl
