2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide

Systemtic Name: 2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]ethanamide Openeye Name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide CAS Name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide IUPAC Name: 2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide Traditional Name: 2-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]acetamide Formula: C21H19ClF3N5O2 MolecularWeight: 465.85607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CN4C=C(C=C(C4=O)Cl)C(F)(F)F

Isomeric SMILES

C1CCC2=NN=C(N2CC1)C3=CC(=CC=C3)NC(=O)CN4C=C(C=C(C4=O)Cl)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N5O2/c22-16-10-14(21(23,24)25)11-29(20(16)32)12-18(31)26-15-6-4-5-13(9-15)19-28-27-17-7-2-1-3-8-30(17)19/h4-6,9-11H,1-3,7-8,12H2,(H,26,31)