3-(1-adamantyl)-1-phenyl-N-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-1-phenyl-N-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-1-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-1-phenyl-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-1-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-1-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide Formula: C27H26F3N3O2 MolecularWeight: 481.50945

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=C(C=C5)OC(F)(F)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC=C(C=C5)OC(F)(F)F)C6=CC=CC=C6

InChI

InChI=1S/C27H26F3N3O2/c28-27(29,30)35-22-8-6-20(7-9-22)31-25(34)23-16-33(21-4-2-1-3-5-21)32-24(23)26-13-17-10-18(14-26)12-19(11-17)15-26/h1-9,16-19H,10-15H2,(H,31,34)