2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-ethylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(5-bromo-2-thienyl)methyl-ethyl-amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C20H25BrN2O3S MolecularWeight: 453.3931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H25BrN2O3S/c1-4-22(12-16-5-6-19(21)27-16)13-20(24)23-8-7-14-9-17(25-2)18(26-3)10-15(14)11-23/h5-6,9-10H,4,7-8,11-13H2,1-3H3