9-bromanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide

Systemtic Name: 9-bromanyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 9-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 9-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 9-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 9-bromo-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C16H16Br2NO2- MolecularWeight: 414.11174

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Br)O)O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Br)O)O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C16H16BrNO2.BrH/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20;/h1-5,8,13,18-20H,6-7,9H2;1H/p-1