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

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-phenylthiophen-2-yl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-phenyl-2-thienyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-phenyl-2-thiophenyl)methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-phenylthiophen-2-yl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-phenyl-2-thienyl)methanone Formula: C22H21NO3S MolecularWeight: 379.47204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=C(C=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H21NO3S/c1-25-19-12-16-8-10-23(14-17(16)13-20(19)26-2)22(24)21-18(9-11-27-21)15-6-4-3-5-7-15/h3-7,9,11-13H,8,10,14H2,1-2H3