6-(azepan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrochloride

Systemtic Name: 6-(azepan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrochloride Openeye Name: 6-(azepan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrochloride CAS Name: 6-(1-azepanyl)-5-methyl-4,4-diphenyl-3-hexanone hydrochloride IUPAC Name: 6-(azepan-1-yl)-5-methyl-4,4-diphenylhexan-3-one hydrochloride Traditional Name: 6-(azepan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrochloride Formula: C25H34ClNO MolecularWeight: 399.99656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO.ClH/c1-3-24(27)25(22-14-8-6-9-15-22,23-16-10-7-11-17-23)21(2)20-26-18-12-4-5-13-19-26;/h6-11,14-17,21H,3-5,12-13,18-20H2,1-2H3;1H