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

Systemtic Name: 9-chloranyl-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 3-allyl-9-chloro-5-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(3-methylphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 3-allyl-9-chloro-5-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C20H22BrClNO2- MolecularWeight: 423.75118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C.[Br-]

Isomeric SMILES

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)CC=C.[Br-]

InChI

InChI=1S/C20H22ClNO2.BrH/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14;/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3;1H/p-1