(4-cyanophenyl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid (4-cyanobenzyl) ester Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2/c22-13-15-6-8-16(9-7-15)14-26-21(25)20-12-19(17-10-11-17)23-24(20)18-4-2-1-3-5-18/h1-9,12,17H,10-11,14H2