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

Systemtic Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[(1S,3S)-5-acetamido-2-adamantyl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H29F3N4O2 MolecularWeight: 426.47577

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)C(C(C3)C2)NC(=O)C4=C(N(N=C4)C(C)(C)C)C(F)(F)F

Isomeric SMILES

CC(=O)NC12C[C@@H]3CC(C1)C[C@@H](C2)C3NC(=O)C4=C(N(N=C4)C(C)(C)C)C(F)(F)F

InChI

InChI=1S/C21H29F3N4O2/c1-11(29)27-20-7-12-5-13(8-20)16(14(6-12)9-20)26-18(30)15-10-25-28(19(2,3)4)17(15)21(22,23)24/h10,12-14,16H,5-9H2,1-4H3,(H,26,30)(H,27,29)/t12?,13-,14-,16?,20?/m0/s1