[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H18N4O3/c1-20(9-5-8-18)16(22)13-24-17(23)15-10-19-21(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,10,12H,5,9,11,13H2,1H3