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

Systemtic Name: (4-bromophenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-bromophenyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (4-bromophenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-bromophenyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-bromophenyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C22H20BrNO3S MolecularWeight: 458.3681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO3S/c1-26-18-12-15-9-10-24(22(25)14-5-7-16(23)8-6-14)21(20-4-3-11-28-20)17(15)13-19(18)27-2/h3-8,11-13,21H,9-10H2,1-2H3