4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxamide

Systemtic Name: 4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxamide Openeye Name: 4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxamide CAS Name: 4-[[2-methyl-1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]amino]-1-adamantanecarboxamide IUPAC Name: 4-[[2-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanoyl]amino]adamantane-1-carboxamide Traditional Name: 4-[[2-methyl-2-[4-(2-pyrimidyl)piperazino]propanoyl]amino]adamantane-1-carboxamide Formula: C23H34N6O2 MolecularWeight: 426.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N6O2/c1-22(2,29-8-6-28(7-9-29)21-25-4-3-5-26-21)20(31)27-18-16-10-15-11-17(18)14-23(12-15,13-16)19(24)30/h3-5,15-18H,6-14H2,1-2H3,(H2,24,30)(H,27,31)