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

Systemtic Name: 1-adamantyl-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: 1-adamantyl-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: 1-adamantyl-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: 1-adamantyl-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: 1-adamantyl-[6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C45CC6CC(C4)CC(C6)C5)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2C(=O)C45CC6CC(C4)CC(C6)C5)OC)OC

InChI

InChI=1S/C29H35NO4/c1-32-23-6-4-21(5-7-23)27-24-14-26(34-3)25(33-2)13-22(24)8-9-30(27)28(31)29-15-18-10-19(16-29)12-20(11-18)17-29/h4-7,13-14,18-20,27H,8-12,15-17H2,1-3H3