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

Systemtic Name: 3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide Openeye Name: 3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide CAS Name: 3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide IUPAC Name: 3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide Traditional Name: 3,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrate hydrobromide Formula: C18H24BrNO3 MolecularWeight: 382.29206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)C.O.Br

Isomeric SMILES

CC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)C.O.Br

InChI

InChI=1S/C18H21NO2.BrH.H2O/c1-12-14-8-9-19(2)11-16(13-6-4-3-5-7-13)15(14)10-17(20)18(12)21;;/h3-7,10,16,20-21H,8-9,11H2,1-2H3;1H;1H2