(phenylmethyl) 4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[2-phenyl-5-(trifluoromethyl)-3-pyrazolyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[2-phenyl-5-(trifluoromethyl)pyrazol-3-yl]piperazine-1-carboxylic acid benzyl ester Formula: C22H21F3N4O2 MolecularWeight: 430.42295

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NN2C3=CC=CC=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=NN2C3=CC=CC=C3)C(F)(F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21F3N4O2/c23-22(24,25)19-15-20(29(26-19)18-9-5-2-6-10-18)27-11-13-28(14-12-27)21(30)31-16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2