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

Systemtic Name: N-[(5S,7R)-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-adamantyl]ethanamide Openeye Name: N-[(5S,7R)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-adamantyl]acetamide CAS Name: N-[(5S,7R)-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-adamantyl]acetamide IUPAC Name: N-[(5S,7R)-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-adamantyl]acetamide Traditional Name: N-[(5S,7R)-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1-adamantyl]acetamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H29N5O2/c1-15(27)24-21-12-16-9-17(13-21)11-20(10-16,14-21)18(28)25-5-7-26(8-6-25)19-22-3-2-4-23-19/h2-4,16-17H,5-14H2,1H3,(H,24,27)/t16-,17+,20?,21?