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STOCK3S-92544,ZINC01260779, N-tert-butyl-N-[(6-methyl-2-oxo-1H-quinoli

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摘 要:STOCK3S-92544,ZINC01260779, N-tert-butyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide,Canonical SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C(=O)C3=CC=CC=C3)C(C)(C)C,InChI: InChI=1/C22H24N2O2/c1-15-10-11-19-17(12-15)13-18(20(25)23-19)14-24(22(2,,3)
[Synonyms]
STOCK3S-92544
ZINC01260779

[Structure]
STOCK3S-92544,ZINC01260779, N-tert-butyl-N-[(6-methyl-2-oxo-1H-quinoli

[ Properties Computed from Structure]
Molecular Weight348.43816 [g/mol]
Molecular FormulaC22H24N2O2
XLogP4.2
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass348.183778
MonoIsotopic Mass348.183778
Topological Polar Surface Area49.4
Heavy Atom Count26
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-tert-butyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
Canonical SMILES: CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C(=O)C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1/C22H24N2O2/c1-15-10-11-19-17(12-15)13-18(20(25)23-19)14-24(22(2,
3)4)21(26)16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,23,25)/f/h23H

 
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