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

Systemtic Name: 9-chloranyl-3-(2-hydroxyethyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-3-(2-hydroxyethyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-3-(2-hydroxyethyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-3-(2-hydroxyethyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-3-(2-hydroxyethyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C18H20BrClNO3- MolecularWeight: 413.7133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3)CCO.[Br-]

Isomeric SMILES

C1CN(CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3)CCO.[Br-]

InChI

InChI=1S/C18H20ClNO3.BrH/c19-17-13-6-7-20(8-9-21)11-15(12-4-2-1-3-5-12)14(13)10-16(22)18(17)23;/h1-5,10,15,21-23H,6-9,11H2;1H/p-1