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

Systemtic Name: methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]propanoate Openeye Name: methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]propanoate CAS Name: 3-[[3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]propanoylamino]propanoate Traditional Name: 3-[3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propanoylamino]propionic acid methyl ester Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCCC(=O)OC

InChI

InChI=1S/C15H22N4O3/c1-11-13(12(2)19(18-11)10-4-8-16)5-6-14(20)17-9-7-15(21)22-3/h4-7,9-10H2,1-3H3,(H,17,20)