ethyl 4-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(4-bromophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-(4-bromophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)CCC#N

InChI

InChI=1S/C22H19BrN4O3/c1-2-30-22(29)16-6-10-18(11-7-16)25-21(28)19-14-27(13-3-12-24)26-20(19)15-4-8-17(23)9-5-15/h4-11,14H,2-3,13H2,1H3,(H,25,28)