3-methyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide

Systemtic Name: 3-methyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide Openeye Name: 3-methyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide CAS Name: 3-methyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide IUPAC Name: 3-methyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide Traditional Name: 3-methyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide Formula: C20H28BrNO3 MolecularWeight: 410.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)C.O.Br

Isomeric SMILES

CCCC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)C.O.Br

InChI

InChI=1S/C20H25NO2.BrH.H2O/c1-3-7-16-15-10-11-21(2)13-18(14-8-5-4-6-9-14)17(15)12-19(22)20(16)23;;/h4-6,8-9,12,18,22-23H,3,7,10-11,13H2,1-2H3;1H;1H2