(5S,7R)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-3-hydroxy-adamantane-1-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H27N3O2/c1-14-19(15(2)25(24-14)18-6-4-3-5-7-18)23-20(26)21-9-16-8-17(10-21)12-22(27,11-16)13-21/h3-7,16-17,27H,8-13H2,1-2H3,(H,23,26)/t16-,17+,21?,22?