methyl 2-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C16H15FN4O3 MolecularWeight: 330.313703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CCC#N

Isomeric SMILES

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)CCC#N

InChI

InChI=1S/C16H15FN4O3/c1-24-14(22)9-19-16(23)13-10-21(8-2-7-18)20-15(13)11-3-5-12(17)6-4-11/h3-6,10H,2,8-9H2,1H3,(H,19,23)