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

Systemtic Name: 9-chloranyl-5-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-5-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-5-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C17H17BrCl2NO2- MolecularWeight: 418.13238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17Cl2NO2.BrH/c1-20-6-5-12-13(8-15(21)17(22)16(12)19)14(9-20)10-3-2-4-11(18)7-10;/h2-4,7-8,14,21-22H,5-6,9H2,1H3;1H/p-1