1-[4-[[4-(azepan-1-ylmethyl)phenyl]methoxy]phenyl]ethanone hydrochloride

Systemtic Name: 1-[4-[[4-(azepan-1-ylmethyl)phenyl]methoxy]phenyl]ethanone hydrochloride Openeye Name: 1-[4-[[4-(azepan-1-ylmethyl)phenyl]methoxy]phenyl]ethanone hydrochloride CAS Name: 1-[4-[[4-(1-azepanylmethyl)phenyl]methoxy]phenyl]ethanone hydrochloride IUPAC Name: 1-[4-[[4-(azepan-1-ylmethyl)phenyl]methoxy]phenyl]ethanone hydrochloride Traditional Name: 1-[4-[4-(azepan-1-ylmethyl)benzyl]oxyphenyl]ethanone hydrochloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCCCC3.Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCCCC3.Cl

InChI

InChI=1S/C22H27NO2.ClH/c1-18(24)21-10-12-22(13-11-21)25-17-20-8-6-19(7-9-20)16-23-14-4-2-3-5-15-23;/h6-13H,2-5,14-17H2,1H3;1H