3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]-N-(prop-2-enylcarbamoyl)benzamide

Systemtic Name: 3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]-N-(prop-2-enylcarbamoyl)benzamide Openeye Name: N-(allylcarbamoyl)-3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide IUPAC Name: 3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]-N-(prop-2-enylcarbamoyl)benzamide Traditional Name: N-(allylcarbamoyl)-3-[[2-keto-5-(trifluoromethyl)-1-pyridyl]methyl]benzamide Formula: C18H16F3N3O3 MolecularWeight: 379.33315

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)C1=CC(=CC=C1)CN2C=C(C=CC2=O)C(F)(F)F

Isomeric SMILES

C=CCNC(=O)NC(=O)C1=CC(=CC=C1)CN2C=C(C=CC2=O)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O3/c1-2-8-22-17(27)23-16(26)13-5-3-4-12(9-13)10-24-11-14(18(19,20)21)6-7-15(24)25/h2-7,9,11H,1,8,10H2,(H2,22,23,26,27)