[(1R)-1-cyanoethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C16H15N3O2/c1-11(10-17)21-16(20)15-9-14(12-7-8-12)18-19(15)13-5-3-2-4-6-13/h2-6,9,11-12H,7-8H2,1H3/t11-/m1/s1