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

Systemtic Name: N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(cyanomethylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(cyanomethylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]-3-(trifluoromethyl)benzamide Formula: C19H16F3N3O3 MolecularWeight: 391.34385

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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)NCC#N

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O3/c20-19(21,22)14-3-1-2-13(11-14)17(27)25-16(18(28)24-9-8-23)10-12-4-6-15(26)7-5-12/h1-7,11,16,26H,9-10H2,(H,24,28)(H,25,27)