2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: 2-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C23H22FN3O5S MolecularWeight: 471.501283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)CC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])C4=CC=CS4)OC

InChI

InChI=1S/C23H22FN3O5S/c1-31-19-10-14-7-8-26(23(21-4-3-9-33-21)16(14)12-20(19)32-2)13-22(28)25-17-6-5-15(24)11-18(17)27(29)30/h3-6,9-12,23H,7-8,13H2,1-2H3,(H,25,28)/t23-/m0/s1