(5S,7R)-3-chloranyl-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]adamantane-1-carboxamide Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CNC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H28ClN5O2/c22-21-11-15-8-16(12-21)10-20(9-15,14-21)18(29)25-13-17(28)26-4-6-27(7-5-26)19-23-2-1-3-24-19/h1-3,15-16H,4-14H2,(H,25,29)/t15-,16+,20?,21?