N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1,1-dimethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-methyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1,1-dimethyl-2-[4-(2-pyrimidyl)piperazino]ethyl]adamantane-1-carboxamide Formula: C23H35N5O MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1CCN(CC1)C2=NC=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(CN1CCN(CC1)C2=NC=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H35N5O/c1-22(2,16-27-6-8-28(9-7-27)21-24-4-3-5-25-21)26-20(29)23-13-17-10-18(14-23)12-19(11-17)15-23/h3-5,17-19H,6-16H2,1-2H3,(H,26,29)