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

Systemtic Name: N-[1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-methyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-keto-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]adamantane-1-carboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H31N5O2/c1-15(19(28)26-5-7-27(8-6-26)21-23-3-2-4-24-21)25-20(29)22-12-16-9-17(13-22)11-18(10-16)14-22/h2-4,15-18H,5-14H2,1H3,(H,25,29)