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

Systemtic Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride Openeye Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride CAS Name: 2-(1-azepanyl)-1-(4-phenoxyphenyl)-1-propanone hydrochloride IUPAC Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride Traditional Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one hydrochloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCCCCC3.Cl

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCCCCC3.Cl

InChI

InChI=1S/C21H25NO2.ClH/c1-17(22-15-7-2-3-8-16-22)21(23)18-11-13-20(14-12-18)24-19-9-5-4-6-10-19;/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3;1H