3-oxidanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: 3-oxidanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]adamantane-1-carboxamide Openeye Name: 3-hydroxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]adamantane-1-carboxamide CAS Name: 3-hydroxy-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-1-adamantanecarboxamide IUPAC Name: 3-hydroxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]adamantane-1-carboxamide Traditional Name: 3-hydroxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]adamantane-1-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NCCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NCCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H27N3O2/c26-20(21-9-17-8-18(10-21)12-22(27,11-17)15-21)23-7-6-16-13-24-25(14-16)19-4-2-1-3-5-19/h1-5,13-14,17-18,27H,6-12,15H2,(H,23,26)