4-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-diphenyl-butan-2-ol hydrochloride

Systemtic Name: 4-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-diphenyl-butan-2-ol hydrochloride Openeye Name: 4-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-diphenyl-butan-2-ol hydrochloride CAS Name: 4-(1-azepanyl)-2-(4-ethoxyphenyl)-1,3-diphenyl-2-butanol hydrochloride IUPAC Name: 4-(azepan-1-yl)-2-(4-ethoxyphenyl)-1,3-diphenylbutan-2-ol hydrochloride Traditional Name: 4-(azepan-1-yl)-1,3-diphenyl-2-p-phenetyl-butan-2-ol hydrochloride Formula: C30H38ClNO2 MolecularWeight: 480.08122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(CN3CCCCCC3)C4=CC=CC=C4)O.Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(CN3CCCCCC3)C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C30H37NO2.ClH/c1-2-33-28-19-17-27(18-20-28)30(32,23-25-13-7-5-8-14-25)29(26-15-9-6-10-16-26)24-31-21-11-3-4-12-22-31;/h5-10,13-20,29,32H,2-4,11-12,21-24H2,1H3;1H