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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight401.88656 [g/mol]
    Molecular FormulaC21H24ClN3O3
    XLogP5.257
    H-Bond Donor2
    H-Bond Acceptor5
    Rotatable Bond Count7
    Tautomer Count4
    Exact Mass401.150619
    MonoIsotopic Mass401.150619
    Topological Polar Surface Area71
    Heavy Atom Count28
    Formal Charge0
    Complexity503
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[[2-oxo-2-(4-phenoxyphenyl)ethylidene]amino]-2-piperidin-1-ylacetamide
    hydrochloride
    Canonical SMILES: C1CCN(CC1)CC(=O)NN=CC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3.Cl
    InChI: InChI=1/C21H23N3O3.ClH/c25-20(15-22-23-21(26)16-24-13-5-2-6-14-24)17-9-
    11-19(12-10-17)27-18-7-3-1-4-8-18;/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,
    23,26);1H/f/h23H;



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