N-[1-(5-nitropyridin-2-yl)piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide

Systemtic Name: N-[1-(5-nitropyridin-2-yl)piperidin-3-yl]-4-oxidanyl-adamantane-1-carboxamide Openeye Name: 4-hydroxy-N-[1-(5-nitro-2-pyridyl)-3-piperidyl]adamantane-1-carboxamide CAS Name: 4-hydroxy-N-[1-(5-nitro-2-pyridinyl)-3-piperidinyl]-1-adamantanecarboxamide IUPAC Name: 4-hydroxy-N-[1-(5-nitropyridin-2-yl)piperidin-3-yl]adamantane-1-carboxamide Traditional Name: 4-hydroxy-N-[1-(5-nitro-2-pyridyl)-3-piperidyl]adamantane-1-carboxamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=C2)[N+](=O)[O-])NC(=O)C34CC5CC(C3)C(C(C5)C4)O

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=C2)[N+](=O)[O-])NC(=O)C34CC5CC(C3)C(C(C5)C4)O

InChI

InChI=1S/C21H28N4O4/c26-19-14-6-13-7-15(19)10-21(8-13,9-14)20(27)23-16-2-1-5-24(12-16)18-4-3-17(11-22-18)25(28)29/h3-4,11,13-16,19,26H,1-2,5-10,12H2,(H,23,27)