3-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride

Systemtic Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride Openeye Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride CAS Name: 3-(1-azepanyl)-1-(4-phenoxyphenyl)-1-propanone hydrochloride IUPAC Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride Traditional Name: 3-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl

Isomeric SMILES

C1CCCN(CC1)CCC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO2.ClH/c23-21(14-17-22-15-6-1-2-7-16-22)18-10-12-20(13-11-18)24-19-8-4-3-5-9-19;/h3-5,8-13H,1-2,6-7,14-17H2;1H