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

Systemtic Name: (3-chloranyl-1-adamantyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (3-chloro-1-adamantyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (3-chloro-1-adamantyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (3-chloro-1-adamantyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (3-chloro-1-adamantyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C22H28ClNO3 MolecularWeight: 389.91562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)OC

InChI

InChI=1S/C22H28ClNO3/c1-26-18-6-16-3-4-24(12-17(16)7-19(18)27-2)20(25)21-8-14-5-15(9-21)11-22(23,10-14)13-21/h6-7,14-15H,3-5,8-13H2,1-2H3