N-[1-(2-cyanoethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[1-(2-cyanoethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(2-cyanoethylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-(2-cyanoethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-(2-cyanoethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(2-cyanoethylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C20H18F3N3O3 MolecularWeight: 405.37043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCCC#N

InChI

InChI=1S/C20H18F3N3O3/c21-20(22,23)15-4-1-3-14(12-15)18(28)26-17(19(29)25-10-2-9-24)11-13-5-7-16(27)8-6-13/h1,3-8,12,17,27H,2,10-11H2,(H,25,29)(H,26,28)