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

Systemtic Name: 1-[2,5-bis(trifluoromethyl)phenyl]-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-[2,5-bis(trifluoromethyl)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-[2,5-bis(trifluoromethyl)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2,5-bis(trifluoromethyl)phenyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-[2,5-bis(trifluoromethyl)phenyl]-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C22H19F6N3O3 MolecularWeight: 487.394979

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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(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19F6N3O3/c23-21(24,25)13-1-3-15(22(26,27)28)17(9-13)31-7-5-12(6-8-31)20(33)29-14-2-4-18-16(10-14)30-19(32)11-34-18/h1-4,9-10,12H,5-8,11H2,(H,29,33)(H,30,32)