1-adamantyl-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: 1-adamantyl-[1-[(4-fluoranylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: 1-adamantyl-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: 1-adamantyl-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: 1-adamantyl-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: 1-adamantyl-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C29H34FNO4 MolecularWeight: 479.582963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)C4)COC6=CC=C(C=C6)F)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C34CC5CC(C3)CC(C5)C4)COC6=CC=C(C=C6)F)OC

InChI

InChI=1S/C29H34FNO4/c1-33-26-12-21-7-8-31(28(32)29-14-18-9-19(15-29)11-20(10-18)16-29)25(24(21)13-27(26)34-2)17-35-23-5-3-22(30)4-6-23/h3-6,12-13,18-20,25H,7-11,14-17H2,1-2H3