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

Systemtic Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-(1-adamantyl)-2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide CAS Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-(1-adamantyl)-2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-(1-adamantyl)-2-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CS6)OC

InChI

InChI=1S/C27H34N2O3S/c1-31-22-11-20-5-6-29(26(24-4-3-7-33-24)21(20)12-23(22)32-2)16-25(30)28-27-13-17-8-18(14-27)10-19(9-17)15-27/h3-4,7,11-12,17-19,26H,5-6,8-10,13-16H2,1-2H3,(H,28,30)