9-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide

Systemtic Name: 9-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C17H18BrClNO2- MolecularWeight: 383.68732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.[Br-]

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.[Br-]

InChI

InChI=1S/C17H18ClNO2.BrH/c1-19-8-7-12-13(9-15(20)17(21)16(12)18)14(10-19)11-5-3-2-4-6-11;/h2-6,9,14,20-21H,7-8,10H2,1H3;1H/p-1