1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C20H18ClF3N4O3 MolecularWeight: 454.83013

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N4O3/c21-14-7-12(20(22,23)24)9-25-18(14)28-5-3-11(4-6-28)19(30)26-13-1-2-16-15(8-13)27-17(29)10-31-16/h1-2,7-9,11H,3-6,10H2,(H,26,30)(H,27,29)