1-(2-bromanyl-3-fluoranyl-phenyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-bromanyl-3-fluoranyl-phenyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Openeye Name: 1-(2-bromo-3-fluoro-phenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide CAS Name: 1-(2-bromo-3-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-bromo-3-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperidine-4-carboxamide Traditional Name: 1-(2-bromo-3-fluoro-phenyl)-N-(3-keto-4H-1,4-benzoxazin-6-yl)isonipecotamide Formula: C20H19BrFN3O3 MolecularWeight: 448.285563

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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)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrFN3O3/c21-19-14(22)2-1-3-16(19)25-8-6-12(7-9-25)20(27)23-13-4-5-17-15(10-13)24-18(26)11-28-17/h1-5,10,12H,6-9,11H2,(H,23,27)(H,24,26)