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

Systemtic Name: 2-(3-bromanylphenoxy)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(3-bromophenoxy)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(3-bromophenoxy)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(3-bromophenoxy)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(3-bromophenoxy)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C23H22BrNO4S MolecularWeight: 488.39408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC3=CC(=CC=C3)Br)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC3=CC(=CC=C3)Br)C4=CC=CS4)OC

InChI

InChI=1S/C23H22BrNO4S/c1-27-19-11-15-8-9-25(22(26)14-29-17-6-3-5-16(24)12-17)23(21-7-4-10-30-21)18(15)13-20(19)28-2/h3-7,10-13,23H,8-9,14H2,1-2H3