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

Systemtic Name: 9-bromanyl-7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-benzyl-9-bromo-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 9-bromo-7,8-dimethoxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-benzyl-9-bromo-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-benzyl-9-bromo-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine Formula: C25H26BrNO2 MolecularWeight: 452.38344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrNO2/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