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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-piperazinecarboxamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-(3-keto-4H-1,4-benzoxazin-6-yl)piperazine-1-carboxamide Formula: C19H17ClF3N5O3 MolecularWeight: 455.81819

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C19H17ClF3N5O3/c20-13-7-11(19(21,22)23)9-24-17(13)27-3-5-28(6-4-27)18(30)25-12-1-2-15-14(8-12)26-16(29)10-31-15/h1-2,7-9H,3-6,10H2,(H,25,30)(H,26,29)