N-[1-(2-cyanoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[1-(2-cyanoethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[1-benzyl-2-(2-cyanoethylamino)-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-(2-cyanoethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[1-benzyl-2-(2-cyanoethylamino)-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C20H18F3N3O2 MolecularWeight: 389.37103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCCC#N)NC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCCC#N)NC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)16-9-4-8-15(13-16)18(27)26-17(19(28)25-11-5-10-24)12-14-6-2-1-3-7-14/h1-4,6-9,13,17H,5,11-12H2,(H,25,28)(H,26,27)