4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3,3-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3,3-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3,3-dimethyl-piperazine-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3,3-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3,3-dimethylpiperazine-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3,3-dimethyl-piperazine-1-carboxamide Formula: C21H20F4N4O MolecularWeight: 420.403313

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(CN(CCN1C2=CC(=C(C=C2)C#N)C(F)(F)F)C(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H20F4N4O/c1-20(2)13-28(19(30)27-16-6-4-15(22)5-7-16)9-10-29(20)17-8-3-14(12-26)18(11-17)21(23,24)25/h3-8,11H,9-10,13H2,1-2H3,(H,27,30)