1,4-diazepan-1-yl-[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-(2,4,5-trifluoro-3-hydroxy-phenyl)methanone CAS Name: 1,4-diazepan-1-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone IUPAC Name: 1,4-diazepan-1-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone Traditional Name: 1,4-diazepan-1-yl-(2,4,5-trifluoro-3-hydroxy-phenyl)methanone Formula: C12H13F3N2O2 MolecularWeight: 274.23903

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C(=C2F)O)F)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C(=C2F)O)F)F

InChI

InChI=1S/C12H13F3N2O2/c13-8-6-7(9(14)11(18)10(8)15)12(19)17-4-1-2-16-3-5-17/h6,16,18H,1-5H2