(5-bromanylpyridin-3-yl)-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3=CC(=CN=C3)Br)C4=CC=CS4)OC

InChI

InChI=1S/C21H19BrN2O3S/c1-26-17-9-13-5-6-24(21(25)14-8-15(22)12-23-11-14)20(19-4-3-7-28-19)16(13)10-18(17)27-2/h3-4,7-12,20H,5-6H2,1-2H3/t20-/m0/s1