N-[1-(2-chloranylpyrimidin-4-yl)piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-(2-chloranylpyrimidin-4-yl)piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: N-[1-(2-chloropyrimidin-4-yl)-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide CAS Name: N-[1-(2-chloro-4-pyrimidinyl)-3-piperidinyl]-4-hydroxy-1-adamantanecarboxamide IUPAC Name: N-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide Traditional Name: N-[1-(2-chloropyrimidin-4-yl)-3-piperidyl]-4-hydroxy-adamantane-1-carboxamide Formula: C20H27ClN4O2 MolecularWeight: 390.90698

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC=C2)Cl)NC(=O)C34CC5CC(C3)C(C(C5)C4)O

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NC=C2)Cl)NC(=O)C34CC5CC(C3)C(C(C5)C4)O

InChI

InChI=1S/C20H27ClN4O2/c21-19-22-4-3-16(24-19)25-5-1-2-15(11-25)23-18(27)20-8-12-6-13(9-20)17(26)14(7-12)10-20/h3-4,12-15,17,26H,1-2,5-11H2,(H,23,27)