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

Systemtic Name: ethyl 4-[[3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[3-(3-chlorophenyl)-1-(2-cyanoethyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[3-(3-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3/c1-2-30-22(29)15-7-9-18(10-8-15)25-21(28)19-14-27(12-4-11-24)26-20(19)16-5-3-6-17(23)13-16/h3,5-10,13-14H,2,4,12H2,1H3,(H,25,28)