[(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C5=NC=CC=N5)C

InChI

InChI=1S/C21H30N4O/c1-19-10-16-11-20(2,13-19)15-21(12-16,14-19)17(26)24-6-8-25(9-7-24)18-22-4-3-5-23-18/h3-5,16H,6-15H2,1-2H3/t16?,19-,20+,21?