3-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-2-cyano-but-2-enamide

Systemtic Name: 3-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-2-cyano-but-2-enamide Openeye Name: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]-2-cyano-but-2-enamide CAS Name: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-cyano-2-butenamide IUPAC Name: 3-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]-2-cyanobut-2-enamide Traditional Name: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]-2-cyano-but-2-enamide Formula: C13H13ClF3N5O MolecularWeight: 347.72343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)N)NCCNC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

CC(=C(C#N)C(=O)N)NCCNC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C13H13ClF3N5O/c1-7(9(5-18)11(19)23)20-2-3-21-12-10(14)4-8(6-22-12)13(15,16)17/h4,6,20H,2-3H2,1H3,(H2,19,23)(H,21,22)