[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-propyl-1H-pyrazole-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-propyl-1H-pyrazole-3-carboxylate CAS Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate Traditional Name: 5-propyl-1H-pyrazole-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCC1=CC(=NN1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H18N4O3/c1-2-3-14-10-15(21-20-14)17(23)24-11-16(22)19-13-6-4-12(5-7-13)8-9-18/h4-7,10H,2-3,8,11H2,1H3,(H,19,22)(H,20,21)