2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ethanamide Openeye Name: 2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide CAS Name: 2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]acetamide IUPAC Name: 2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide Traditional Name: 2-[(5S,7R)-3-methyl-1-adamantyl]-N-[2-[4-(2-pyrimidyl)piperazino]ethyl]acetamide Formula: C23H35N5O MolecularWeight: 397.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CC(=O)NCCN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CC(=O)NCCN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H35N5O/c1-22-12-18-11-19(13-22)15-23(14-18,17-22)16-20(29)24-5-6-27-7-9-28(10-8-27)21-25-3-2-4-26-21/h2-4,18-19H,5-17H2,1H3,(H,24,29)/t18-,19+,22?,23?