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

Systemtic Name: N-[(2S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-methyl-2-[4-(2-pyrimidyl)piperazino]ethyl]adamantane-1-carboxamide Formula: C22H33N5O MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CN1CCN(CC1)C2=NC=CC=N2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H33N5O/c1-16(15-26-5-7-27(8-6-26)21-23-3-2-4-24-21)25-20(28)22-12-17-9-18(13-22)11-19(10-17)14-22/h2-4,16-19H,5-15H2,1H3,(H,25,28)/t16-,17?,18?,19?,22?/m0/s1