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

Systemtic Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-heptan-3-ol hydrochloride Openeye Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenyl-heptan-3-ol hydrochloride CAS Name: 1-(1-azepanyl)-3-(4-ethoxyphenyl)-2-phenyl-3-heptanol hydrochloride IUPAC Name: 1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylheptan-3-ol hydrochloride Traditional Name: 1-(azepan-1-yl)-2-phenyl-3-p-phenetyl-heptan-3-ol hydrochloride Formula: C27H40ClNO2 MolecularWeight: 446.065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2.ClH/c1-3-5-19-27(29,24-15-17-25(18-16-24)30-4-2)26(23-13-9-8-10-14-23)22-28-20-11-6-7-12-21-28;/h8-10,13-18,26,29H,3-7,11-12,19-22H2,1-2H3;1H