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

Systemtic Name: (4-aminophenyl)-[5-oxidanyl-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Openeye Name: (4-aminophenyl)-[5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone CAS Name: (4-aminophenyl)-[5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone IUPAC Name: (4-aminophenyl)-[5-hydroxy-3-tetradecyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone Traditional Name: (4-aminophenyl)-[5-hydroxy-3-myristyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]methanone Formula: C25H38F3N3O2 MolecularWeight: 469.58333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38F3N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-19-24(33,25(26,27)28)31(30-22)23(32)20-15-17-21(29)18-16-20/h15-18,33H,2-14,19,29H2,1H3