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

Systemtic Name: 3-[3-[2-(5-bromanyl-1-benzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Openeye Name: 3-[3-[2-(5-bromobenzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one CAS Name: 3-[3-[2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one IUPAC Name: 3-[3-[2-(5-bromo-1-benzothiophen-3-yl)ethyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Traditional Name: 3-[3-[2-(5-bromobenzothiophen-3-yl)ethyl-methyl-amino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one Formula: C26H31BrN2O3S MolecularWeight: 531.50494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CSC4=C3C=C(C=C4)Br

Isomeric SMILES

CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CSC4=C3C=C(C=C4)Br

InChI

InChI=1S/C26H31BrN2O3S/c1-28(11-7-19-17-33-25-6-5-21(27)16-22(19)25)9-4-10-29-12-8-18-13-23(31-2)24(32-3)14-20(18)15-26(29)30/h5-6,13-14,16-17H,4,7-12,15H2,1-3H3