[(5S,7R)-3-chloranyl-1-adamantyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [(5S,7R)-3-chloranyl-1-adamantyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [(5S,7R)-3-chloro-1-adamantyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [(5S,7R)-3-chloro-1-adamantyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [(5S,7R)-3-chloro-1-adamantyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [(5S,7R)-3-chloro-1-adamantyl]-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C24H32ClNO3 MolecularWeight: 417.96878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl)OCC

InChI

InChI=1S/C24H32ClNO3/c1-3-28-20-8-18-5-6-26(14-19(18)9-21(20)29-4-2)22(27)23-10-16-7-17(11-23)13-24(25,12-16)15-23/h8-9,16-17H,3-7,10-15H2,1-2H3/t16-,17+,23?,24?