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

Systemtic Name: 2-(1-adamantyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1-adamantyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(1-adamantyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1-adamantyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1-adamantyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

InChI

InChI=1S/C27H33NO3S/c1-30-22-11-20-5-6-28(26(24-4-3-7-32-24)21(20)12-23(22)31-2)25(29)16-27-13-17-8-18(14-27)10-19(9-17)15-27/h3-4,7,11-12,17-19,26H,5-6,8-10,13-16H2,1-2H3