6-(azepan-1-yl)-2-bromanyl-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide

Systemtic Name: 6-(azepan-1-yl)-2-bromanyl-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide Openeye Name: 6-(azepan-1-yl)-2-bromo-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide CAS Name: 6-(1-azepanyl)-2-bromo-5-methyl-4,4-diphenyl-3-hexanone hydrobromide IUPAC Name: 6-(azepan-1-yl)-2-bromo-5-methyl-4,4-diphenylhexan-3-one hydrobromide Traditional Name: 6-(azepan-1-yl)-2-bromo-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide Formula: C25H33Br2NO MolecularWeight: 523.34362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C(C)Br.Br

Isomeric SMILES

CC(CN1CCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C(C)Br.Br

InChI

InChI=1S/C25H32BrNO.BrH/c1-20(19-27-17-11-3-4-12-18-27)25(24(28)21(2)26,22-13-7-5-8-14-22)23-15-9-6-10-16-23;/h5-10,13-16,20-21H,3-4,11-12,17-19H2,1-2H3;1H