4-[(4-cyanophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-[3-(trifluoromethyl)benzyl]piperazine-1-carboxamide Formula: C21H21F3N4O MolecularWeight: 402.41285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O/c22-21(23,24)19-3-1-2-18(12-19)14-26-20(29)28-10-8-27(9-11-28)15-17-6-4-16(13-25)5-7-17/h1-7,12H,8-11,14-15H2,(H,26,29)