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

Systemtic Name: 9-chloranyl-5-(3-chlorophenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 3-allyl-9-chloro-5-(3-chlorophenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(3-chlorophenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(3-chlorophenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 3-allyl-9-chloro-5-(3-chlorophenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C19H19BrCl2NO2- MolecularWeight: 444.16966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2NO2.BrH/c1-2-7-22-8-6-14-15(10-17(23)19(24)18(14)21)16(11-22)12-4-3-5-13(20)9-12;/h2-5,9-10,16,23-24H,1,6-8,11H2;1H/p-1