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

Systemtic Name: (3-chloranyl-1-adamantyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (3-chloro-1-adamantyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (3-chloro-1-adamantyl)-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (3-chloro-1-adamantyl)-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C26H30ClNO3S MolecularWeight: 472.0393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C6=CC=CS6)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C6=CC=CS6)OC

InChI

InChI=1S/C26H30ClNO3S/c1-30-20-9-18-5-6-28(23(22-4-3-7-32-22)19(18)10-21(20)31-2)24(29)25-11-16-8-17(12-25)14-26(27,13-16)15-25/h3-4,7,9-10,16-17,23H,5-6,8,11-15H2,1-2H3