2-(5-bromanylindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(5-bromanylindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(5-bromoindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(5-bromo-1-indolyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(5-bromoindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(5-bromoindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=CC4=C3C=CC(=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=CC4=C3C=CC(=C4)Br)OC

InChI

InChI=1S/C21H21BrN2O3/c1-26-19-10-14-5-8-24(12-16(14)11-20(19)27-2)21(25)13-23-7-6-15-9-17(22)3-4-18(15)23/h3-4,6-7,9-11H,5,8,12-13H2,1-2H3