1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one

Systemtic Name: 1-[4-(1-adamantylcarbonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[4-(adamantane-1-carbonyl)piperazino]-4-(4-methoxyphenoxy)butan-1-one Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N2O4/c1-31-22-4-6-23(7-5-22)32-12-2-3-24(29)27-8-10-28(11-9-27)25(30)26-16-19-13-20(17-26)15-21(14-19)18-26/h4-7,19-21H,2-3,8-18H2,1H3