1-[4-[[3-(4-methoxyphenyl)-1-adamantyl]carbonyl]piperazin-1-yl]-2-morpholin-4-yl-ethanone

Systemtic Name: 1-[4-[[3-(4-methoxyphenyl)-1-adamantyl]carbonyl]piperazin-1-yl]-2-morpholin-4-yl-ethanone Openeye Name: 1-[4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]piperazin-1-yl]-2-morpholino-ethanone CAS Name: 1-[4-[[3-(4-methoxyphenyl)-1-adamantyl]-oxomethyl]-1-piperazinyl]-2-(4-morpholinyl)ethanone IUPAC Name: 1-[4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone Traditional Name: 1-[4-[3-(4-methoxyphenyl)adamantane-1-carbonyl]piperazino]-2-morpholino-ethanone Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C(=O)CN6CCOCC6

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)C(=O)CN6CCOCC6

InChI

InChI=1S/C28H39N3O4/c1-34-24-4-2-23(3-5-24)27-15-21-14-22(16-27)18-28(17-21,20-27)26(33)31-8-6-30(7-9-31)25(32)19-29-10-12-35-13-11-29/h2-5,21-22H,6-20H2,1H3