(phenylmethyl) 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylate Openeye Name: benzyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylate CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-methylpiperazine-1-carboxylate Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C21H20F3N3O2 MolecularWeight: 403.39761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20F3N3O2/c1-15-13-26(20(28)29-14-16-5-3-2-4-6-16)9-10-27(15)18-8-7-17(12-25)19(11-18)21(22,23)24/h2-8,11,15H,9-10,13-14H2,1H3