3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]azepan-2-one

Systemtic Name: 3-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]azepan-2-one Openeye Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]azepan-2-one CAS Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-azepanone IUPAC Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]azepan-2-one Traditional Name: 3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]azepan-2-one Formula: C13H14F2N2O3 MolecularWeight: 284.258666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C13H14F2N2O3/c14-13(15)19-10-5-4-8(7-11(10)20-13)17-9-3-1-2-6-16-12(9)18/h4-5,7,9,17H,1-3,6H2,(H,16,18)