4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C21H20F3N5O3 MolecularWeight: 447.41041

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O3/c1-13-12-28(20(30)26-16-4-7-17(8-5-16)29(31)32)14(2)11-27(13)18-6-3-15(10-25)19(9-18)21(22,23)24/h3-9,13-14H,11-12H2,1-2H3,(H,26,30)