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

Systemtic Name: N-(4-aminophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Openeye Name: N-(4-aminophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide CAS Name: N-(4-aminophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1-piperazinecarboxamide IUPAC Name: N-(4-aminophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethylpiperazine-1-carboxamide Traditional Name: N-(4-aminophenyl)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-piperazine-1-carboxamide Formula: C21H22F3N5O MolecularWeight: 417.42749

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CC=C(C=C2)N)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CC1CN(C(CN1C(=O)NC2=CC=C(C=C2)N)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H22F3N5O/c1-13-12-29(20(30)27-17-6-4-16(26)5-7-17)14(2)11-28(13)18-8-3-15(10-25)19(9-18)21(22,23)24/h3-9,13-14H,11-12,26H2,1-2H3,(H,27,30)