1-tert-butyl-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-tert-butyl-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-tert-butyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: 1-tert-butyl-N-[(1R,3S)-5-hydroxy-2-adamantyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H26F3N3O2 MolecularWeight: 385.42385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)C(=O)NC2C3CC4CC2CC(C4)(C3)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)C(F)(F)F

InChI

InChI=1S/C19H26F3N3O2/c1-17(2,3)25-15(19(20,21)22)13(9-23-25)16(26)24-14-11-4-10-5-12(14)8-18(27,6-10)7-11/h9-12,14,27H,4-8H2,1-3H3,(H,24,26)/t10?,11-,12+,14?,18?