(phenylmethyl) 4-[3-cyano-2-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-cyano-2-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylate Openeye Name: benzyl 4-[3-cyano-2-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylate CAS Name: 4-[3-cyano-2-(trifluoromethyl)phenyl]-3-methyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-cyano-2-(trifluoromethyl)phenyl]-3-methylpiperazine-1-carboxylate Traditional Name: 4-[3-cyano-2-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylic acid benzyl ester Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2C(F)(F)F)C#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2C(F)(F)F)C#N)C(=O)OCC3=CC=CC=C3

InChI

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