5-(3-bromanyl-4-oxidanyl-phenyl)-9-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 5-(3-bromanyl-4-oxidanyl-phenyl)-9-chloranyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(3-bromo-4-hydroxy-phenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-(3-bromo-4-hydroxyphenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(3-bromo-4-hydroxyphenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-(3-bromo-4-hydroxy-phenyl)-9-chloro-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C16H15BrClNO3 MolecularWeight: 384.6522

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC(=C(C=C3)O)Br

Isomeric SMILES

C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC(=C(C=C3)O)Br

InChI

InChI=1S/C16H15BrClNO3/c17-12-5-8(1-2-13(12)20)11-7-19-4-3-9-10(11)6-14(21)16(22)15(9)18/h1-2,5-6,11,19-22H,3-4,7H2