3-methyl-5-(3-methylphenyl)-9-naphthalen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Systemtic Name: 3-methyl-5-(3-methylphenyl)-9-naphthalen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Openeye Name: 3-methyl-5-(m-tolyl)-9-(2-naphthyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide CAS Name: 3-methyl-5-(3-methylphenyl)-9-(2-naphthalenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide IUPAC Name: 3-methyl-5-(3-methylphenyl)-9-naphthalen-2-yl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Traditional Name: 3-methyl-5-(m-tolyl)-9-(2-naphthyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide Formula: C28H28BrNO2 MolecularWeight: 490.43142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)C4=CC5=CC=CC=C5C=C4)C.Br

Isomeric SMILES

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)C4=CC5=CC=CC=C5C=C4)C.Br

InChI

InChI=1S/C28H27NO2.BrH/c1-18-6-5-9-21(14-18)25-17-29(2)13-12-23-24(25)16-26(30)28(31)27(23)22-11-10-19-7-3-4-8-20(19)15-22;/h3-11,14-16,25,30-31H,12-13,17H2,1-2H3;1H