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

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-pentan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-pentan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-2-phenyl-3-pentanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylpentan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-2-phenyl-3-p-phenetyl-pentan-3-ol hydrochloride Formula: C25H36ClNO2 MolecularWeight: 418.01184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2.ClH/c1-3-25(27,22-14-16-23(17-15-22)28-4-2)24(21-12-8-7-9-13-21)20-26-18-10-5-6-11-19-26;/h7-9,12-17,24,27H,3-6,10-11,18-20H2,1-2H3;1H