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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]carbonyl-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-(2,4-difluorobenzoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-[(2,4-difluorophenyl)-oxomethyl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2,4-difluorobenzoyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(2,4-difluorobenzoyl)-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C21H19F2N3O4 MolecularWeight: 415.390066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F2N3O4/c22-13-1-3-15(16(23)9-13)21(29)26-7-5-12(6-8-26)20(28)24-14-2-4-18-17(10-14)25-19(27)11-30-18/h1-4,9-10,12H,5-8,11H2,(H,24,28)(H,25,27)