1-[1-[2-[(2-cyclohexyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]azepane hydrochloride

Systemtic Name: 1-[1-[2-[(2-cyclohexyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]azepane hydrochloride Openeye Name: 1-[1-[2-(2-cyclohexylbenzothiophen-3-yl)oxyphenoxy]ethyl]azepane hydrochloride CAS Name: 1-[1-[2-[(2-cyclohexyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]azepane hydrochloride IUPAC Name: 1-[1-[2-[(2-cyclohexyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]azepane hydrochloride Traditional Name: 1-[1-[2-(2-cyclohexylbenzothiophen-3-yl)oxyphenoxy]ethyl]azepane hydrochloride Formula: C28H36ClNO2S MolecularWeight: 486.10894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCCCC1)OC2=CC=CC=C2OC3=C(SC4=CC=CC=C43)C5CCCCC5.Cl

Isomeric SMILES

CC(N1CCCCCC1)OC2=CC=CC=C2OC3=C(SC4=CC=CC=C43)C5CCCCC5.Cl

InChI

InChI=1S/C28H35NO2S.ClH/c1-21(29-19-11-2-3-12-20-29)30-24-16-8-9-17-25(24)31-27-23-15-7-10-18-26(23)32-28(27)22-13-5-4-6-14-22;/h7-10,15-18,21-22H,2-6,11-14,19-20H2,1H3;1H