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

Systemtic Name: ethyl 4-[[1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazol-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carbonyl]amino]benzoic acid ethyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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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)C)C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-4-31-24(30)18-8-10-20(11-9-18)26-23(29)21-15-28(13-5-12-25)27-22(21)19-7-6-16(2)17(3)14-19/h6-11,14-15H,4-5,13H2,1-3H3,(H,26,29)