N-(1-adamantyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]isonipecotamide Formula: C22H27F3N6O MolecularWeight: 448.48459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)C5=NN6C(=NN=C6C(F)(F)F)C=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC23CC4CC(C2)CC(C4)C3)C5=NN6C(=NN=C6C(F)(F)F)C=C5

InChI

InChI=1S/C22H27F3N6O/c23-22(24,25)20-28-27-17-1-2-18(29-31(17)20)30-5-3-16(4-6-30)19(32)26-21-10-13-7-14(11-21)9-15(8-13)12-21/h1-2,13-16H,3-12H2,(H,26,32)