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

Systemtic Name: 9-chloranyl-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-5-(m-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-5-(m-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C17H18BrClNO2- MolecularWeight: 383.68732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl.[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl.[Br-]

InChI

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