methyl 5-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC(=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC(=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C21H20FN3O3/c1-13-17(14(2)25(24-13)16-7-5-4-6-8-16)12-20(26)23-15-9-10-19(22)18(11-15)21(27)28-3/h4-11H,12H2,1-3H3,(H,23,26)