propan-2-yl 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: propan-2-yl 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: isopropyl 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-phenyl-4-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid isopropyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)CCC#N

Isomeric SMILES

CC(C)OC(=O)C1=CN(N=C1C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C16H17N3O2/c1-12(2)21-16(20)14-11-19(10-6-9-17)18-15(14)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,10H2,1-2H3