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

Systemtic Name: methyl 2-[[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[3-(3-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[3-(3-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]acetic acid methyl ester Formula: C16H15BrN4O3 MolecularWeight: 391.2193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O3/c1-24-14(22)9-19-16(23)13-10-21(7-3-6-18)20-15(13)11-4-2-5-12(17)8-11/h2,4-5,8,10H,3,7,9H2,1H3,(H,19,23)