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

Systemtic Name: (5R)-9-chloranyl-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: (5R)-9-chloro-3-methyl-5-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: (5R)-9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: (5R)-9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: (5R)-9-chloro-3-methyl-5-(m-tolyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C18H20ClNO2 MolecularWeight: 317.8099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C

Isomeric SMILES

CC1=CC=CC(=C1)[C@H]2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C

InChI

InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3/t15-/m1/s1