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

Systemtic Name: 3-(5-bromanylindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-(5-bromoindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-(5-bromo-1-indolyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-(5-bromoindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-(5-bromoindol-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C=CC4=C3C=CC(=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C=CC4=C3C=CC(=C4)Br)OC

InChI

InChI=1S/C22H23BrN2O3/c1-27-20-12-15-5-9-25(14-17(15)13-21(20)28-2)22(26)7-10-24-8-6-16-11-18(23)3-4-19(16)24/h3-4,6,8,11-13H,5,7,9-10,14H2,1-2H3