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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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