methyl 4-[[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[5-ethyl-1-(4-fluorophenyl)-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

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