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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-methoxyphenyl)-1-adamantyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-methoxyphenyl)-1-adamantyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-methoxyphenyl)-1-adamantyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-methoxyphenyl)-1-adamantyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[3-(4-methoxyphenyl)-1-adamantyl]methanone Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCC6=CC=CC=C6C5

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCC6=CC=CC=C6C5

InChI

InChI=1S/C27H31NO2/c1-30-24-8-6-23(7-9-24)26-13-19-12-20(14-26)16-27(15-19,18-26)25(29)28-11-10-21-4-2-3-5-22(21)17-28/h2-9,19-20H,10-18H2,1H3