methyl 4-[[2-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylate

Systemtic Name: methyl 4-[[2-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylate Openeye Name: methyl 4-[[2-methyl-2-[4-(2-pyridyl)piperazin-1-yl]propanoyl]amino]adamantane-1-carboxylate CAS Name: 4-[[2-methyl-1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]propyl]amino]-1-adamantanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxylate Traditional Name: 4-[[2-methyl-2-[4-(2-pyridyl)piperazino]propanoyl]amino]adamantane-1-carboxylic acid methyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)OC)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)OC)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C25H36N4O3/c1-24(2,29-10-8-28(9-11-29)20-6-4-5-7-26-20)22(30)27-21-18-12-17-13-19(21)16-25(14-17,15-18)23(31)32-3/h4-7,17-19,21H,8-16H2,1-3H3,(H,27,30)