(5S,7R)-3-oxidanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-oxidanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-[4-(pyrazol-1-ylmethyl)benzyl]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)NCC4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NCC4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C22H27N3O2/c26-20(21-9-18-8-19(10-21)12-22(27,11-18)15-21)23-13-16-2-4-17(5-3-16)14-25-7-1-6-24-25/h1-7,18-19,27H,8-15H2,(H,23,26)/t18-,19+,21?,22?