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

Systemtic Name: 1-[2-cyano-5-(trifluoromethyl)phenyl]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-[2-cyano-5-(trifluoromethyl)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-[2-cyano-5-(trifluoromethyl)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-cyano-5-(trifluoromethyl)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-[2-cyano-5-(trifluoromethyl)phenyl]-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C22H19F3N4O3 MolecularWeight: 444.40647

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)C4=C(C=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C22H19F3N4O3/c23-22(24,25)15-2-1-14(11-26)18(9-15)29-7-5-13(6-8-29)21(31)27-16-3-4-19-17(10-16)28-20(30)12-32-19/h1-4,9-10,13H,5-8,12H2,(H,27,31)(H,28,30)