[5-oxidanyl-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [5-oxidanyl-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-2-yl-methanone Openeye Name: [5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-pyridyl)methanone CAS Name: [5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-pyridinyl)methanone IUPAC Name: [5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-pyridin-2-ylmethanone Traditional Name: [5-hydroxy-3-myristyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-(2-pyridyl)methanone Formula: C24H36F3N3O2 MolecularWeight: 455.55675

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C24H36F3N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-19-23(32,24(25,26)27)30(29-20)22(31)21-17-14-15-18-28-21/h14-15,17-18,32H,2-13,16,19H2,1H3