9-bromanyl-3-butyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 9-bromanyl-3-butyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 9-bromo-3-butyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 9-bromo-3-butyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 9-bromo-3-butyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 9-bromo-3-butyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C20H25Br2NO2 MolecularWeight: 471.226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br.Br

Isomeric SMILES

CCCCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Br.Br

InChI

InChI=1S/C20H24BrNO2.BrH/c1-2-3-10-22-11-9-15-16(12-18(23)20(24)19(15)21)17(13-22)14-7-5-4-6-8-14;/h4-8,12,17,23-24H,2-3,9-11,13H2,1H3;1H