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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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