1-[1-(2-chloranyl-6-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[1-(2-chloranyl-6-fluoranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-thienyl)ethanone CAS Name: 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[1-(2-chloro-6-fluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-thienyl)ethanone Formula: C23H21ClFNO3S MolecularWeight: 445.934143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3=CC=CS3)C4=C(C=CC=C4Cl)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3=CC=CS3)C4=C(C=CC=C4Cl)F)OC

InChI

InChI=1S/C23H21ClFNO3S/c1-28-19-11-14-8-9-26(21(27)12-15-5-4-10-30-15)23(16(14)13-20(19)29-2)22-17(24)6-3-7-18(22)25/h3-7,10-11,13,23H,8-9,12H2,1-2H3