3-[[1-[2-(6-bromanyl-1-benzothiophen-3-yl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one

Systemtic Name: 3-[[1-[2-(6-bromanyl-1-benzothiophen-3-yl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[[1-[2-(6-bromobenzothiophen-3-yl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[[1-[2-(6-bromo-1-benzothiophen-3-yl)ethyl]-3-piperidinyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[[1-[2-(6-bromo-1-benzothiophen-3-yl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[[1-[2-(6-bromobenzothiophen-3-yl)ethyl]-3-piperidyl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C28H33BrN2O3S MolecularWeight: 557.54222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCC4=CSC5=C4C=CC(=C5)Br)OC

Isomeric SMILES

COC1=C(C=C2CC(=O)N(CCC2=C1)CC3CCCN(C3)CCC4=CSC5=C4C=CC(=C5)Br)OC

InChI

InChI=1S/C28H33BrN2O3S/c1-33-25-12-20-8-11-31(28(32)14-22(20)13-26(25)34-2)17-19-4-3-9-30(16-19)10-7-21-18-35-27-15-23(29)5-6-24(21)27/h5-6,12-13,15,18-19H,3-4,7-11,14,16-17H2,1-2H3