methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]benzoate

Systemtic Name: methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]benzoate CAS Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]benzoate Traditional Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C19H22N4O3 MolecularWeight: 354.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C19H22N4O3/c1-13-17(14(2)23(22-13)11-5-10-20)8-9-18(24)21-16-7-4-6-15(12-16)19(25)26-3/h4,6-7,12H,5,8-9,11H2,1-3H3,(H,21,24)