1-[(2-cyanoaziridin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]aziridine-2-carboxamide

Systemtic Name: 1-[(2-cyanoaziridin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]aziridine-2-carboxamide Openeye Name: 1-[(2-cyanoaziridin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]aziridine-2-carboxamide CAS Name: 1-[(2-cyano-1-aziridinyl)-[3-(trifluoromethyl)phenyl]methyl]-2-aziridinecarboxamide IUPAC Name: 1-[(2-cyanoaziridin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]aziridine-2-carboxamide Traditional Name: 1-[(2-cyanoethylenimin-1-yl)-[3-(trifluoromethyl)phenyl]methyl]ethylenimine-2-carboxamide Formula: C14H13F3N4O MolecularWeight: 310.27443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(C2=CC(=CC=C2)C(F)(F)F)N3CC3C(=O)N)C#N

Isomeric SMILES

C1C(N1C(C2=CC(=CC=C2)C(F)(F)F)N3CC3C(=O)N)C#N

InChI

InChI=1S/C14H13F3N4O/c15-14(16,17)9-3-1-2-8(4-9)13(20-6-10(20)5-18)21-7-11(21)12(19)22/h1-4,10-11,13H,6-7H2,(H2,19,22)