[2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrazol-3-yl] 3-methylbutanoate

Systemtic Name: [2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrazol-3-yl] 3-methylbutanoate Openeye Name: [2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3-pyrazolyl] ester IUPAC Name: [2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrazol-3-yl] ester Formula: C18H17F3N2O2 MolecularWeight: 350.33499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C=NN1C)C#CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)OC1=C(C=NN1C)C#CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O2/c1-12(2)10-16(24)25-17-14(11-22-23(17)3)7-4-13-5-8-15(9-6-13)18(19,20)21/h5-6,8-9,11-12H,10H2,1-3H3