3-[[1-[3-(4-bromophenyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[[1-[3-(4-bromophenyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[3-(4-bromophenyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[3-(4-bromophenyl)propyl]-3-azepanyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[3-(4-bromophenyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[[1-[3-(4-bromophenyl)propyl]azepan-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C28H37BrN2O3 MolecularWeight: 529.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCCC4=CC=C(C=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCCN(C3)CCCC4=CC=C(C=C4)Br)OC

InChI

InChI=1S/C28H37BrN2O3/c1-33-26-16-23-12-15-31(28(32)18-24(23)17-27(26)34-2)20-22-6-3-4-13-30(19-22)14-5-7-21-8-10-25(29)11-9-21/h8-11,16-17,22H,3-7,12-15,18-20H2,1-2H3