1-[2-(5-chloranyl-2-phenethyloxy-phenyl)ethyl]azepane hydrochloride

Systemtic Name: 1-[2-(5-chloranyl-2-phenethyloxy-phenyl)ethyl]azepane hydrochloride Openeye Name: 1-[2-(5-chloro-2-phenethyloxy-phenyl)ethyl]azepane hydrochloride CAS Name: 1-[2-(5-chloro-2-phenethyloxyphenyl)ethyl]azepane hydrochloride IUPAC Name: 1-[2-(5-chloro-2-phenethyloxyphenyl)ethyl]azepane hydrochloride Traditional Name: 1-[2-(5-chloro-2-phenethyloxy-phenyl)ethyl]azepane hydrochloride Formula: C22H29Cl2NO MolecularWeight: 394.37776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCCN(CC1)CCC2=C(C=CC(=C2)Cl)OCCC3=CC=CC=C3.Cl

InChI

InChI=1S/C22H28ClNO.ClH/c23-21-10-11-22(25-17-13-19-8-4-3-5-9-19)20(18-21)12-16-24-14-6-1-2-7-15-24;/h3-5,8-11,18H,1-2,6-7,12-17H2;1H