4-methoxy-N-(1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl),-内页标题

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4-methoxy-N-(1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl),

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摘 要: 4-methoxy-N-(1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl),benzamide,Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC3=CC=CC=C32)C(=O)N4CCNCC4,InChI: InChI=1/C25H25N3O3/c1-31-21-11-9-19(10-12-21)24(29)27-23(25(30)28-15-13-,26-14-16-28)1
[Synonyms]

[Structure]
 4-methoxy-N-(1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl),

[ Properties Computed from Structure]
Molecular Weight415.4843 [g/mol]
Molecular FormulaC25H25N3O3
XLogP3.7
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass415.189592
MonoIsotopic Mass415.189592
Topological Polar Surface Area70.7
Heavy Atom Count31
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-methoxy-N-(1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl)
benzamide
Canonical SMILES: COC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC3=CC=CC=C32)C(=O)N4CCNCC4
InChI: InChI=1/C25H25N3O3/c1-31-21-11-9-19(10-12-21)24(29)27-23(25(30)28-15-13-
26-14-16-28)17-20-7-4-6-18-5-2-3-8-22(18)20/h2-12,17,26H,13-16H2,1H3,(H,
27,29)/f/h27H

 
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