1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-hexan-3-ol hydrochloride

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-hexan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-hexan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-2-phenyl-3-hexanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-2-phenyl-3-p-phenetyl-hexan-3-ol hydrochloride Formula: C26H38ClNO2 MolecularWeight: 432.03842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)OCC)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCCC(C1=CC=C(C=C1)OCC)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C26H37NO2.ClH/c1-3-18-26(28,23-14-16-24(17-15-23)29-4-2)25(22-12-8-7-9-13-22)21-27-19-10-5-6-11-20-27;/h7-9,12-17,25,28H,3-6,10-11,18-21H2,1-2H3;1H