9-chloranyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide

Systemtic Name: 9-chloranyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 3-allyl-9-chloro-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C19H20BrClNO2- MolecularWeight: 409.7246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.[Br-]

Isomeric SMILES

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)O)O)Cl.[Br-]

InChI

InChI=1S/C19H20ClNO2.BrH/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13;/h2-7,11,16,22-23H,1,8-10,12H2;1H/p-1