1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-hex-5-en-3-ol hydrochloride

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-hex-5-en-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-hex-5-en-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-2-phenyl-5-hexen-3-ol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhex-5-en-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-2-phenyl-3-p-phenetyl-hex-5-en-3-ol hydrochloride Formula: C26H36ClNO2 MolecularWeight: 430.02254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC=C)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC=C)(C(CN2CCCCCC2)C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C26H35NO2.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;/h3,7-9,12-17,25,28H,1,4-6,10-11,18-21H2,2H3;1H