9-chloranyl-7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride

Systemtic Name: 9-chloranyl-7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Openeye Name: 3-benzyl-9-chloro-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride CAS Name: 9-chloro-7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride IUPAC Name: 3-benzyl-9-chloro-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Traditional Name: 3-benzyl-9-chloro-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Formula: C25H27Cl2NO2 MolecularWeight: 444.39338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)Cl)OC.Cl

Isomeric SMILES

COC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)Cl)OC.Cl

InChI

InChI=1S/C25H26ClNO2.ClH/c1-28-23-15-21-20(24(26)25(23)29-2)13-14-27(16-18-9-5-3-6-10-18)17-22(21)19-11-7-4-8-12-19;/h3-12,15,22H,13-14,16-17H2,1-2H3;1H