methyl 3-[3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoylamino]benzoate

Systemtic Name: methyl 3-[3-[2-(4-fluorophenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 3-[3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoylamino]benzoate CAS Name: 3-[[3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(4-fluorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoylamino]benzoate Traditional Name: 3-[3-[1-(4-fluorophenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]propanoylamino]benzoic acid methyl ester Formula: C21H20FN3O4 MolecularWeight: 397.399603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H20FN3O4/c1-13-18(20(27)25(24-13)17-8-6-15(22)7-9-17)10-11-19(26)23-16-5-3-4-14(12-16)21(28)29-2/h3-9,12,24H,10-11H2,1-2H3,(H,23,26)