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N-(4-acetylphenyl)-3-naphthalen-1-ylprop-2-enamide,Canonical SMILES:

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摘 要: N-(4-acetylphenyl)-3-naphthalen-1-ylprop-2-enamide,Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC3=CC=CC=C32,InChI: InChI=1/C21H17NO2/c1-15(23)16-9-12-19(13-10-16)22-21(24)14-11-18-7-4-6-,17-5-2-3-8-20(17)18/h2-14H,1H3,(H,22,24)/f/h22H,Molec
[Synonyms]

[Structure]
 N-(4-acetylphenyl)-3-naphthalen-1-ylprop-2-enamide,Canonical SMILES:

[ Properties Computed from Structure]
Molecular Weight315.36518 [g/mol]
Molecular FormulaC21H17NO2
XLogP4.4
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count9
Exact Mass315.125929
MonoIsotopic Mass315.125929
Topological Polar Surface Area46.2
Heavy Atom Count24
Formal Charge0
Complexity476
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: N-(4-acetylphenyl)-3-naphthalen-1-ylprop-2-enamide
Canonical SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CC3=CC=CC=C32
InChI: InChI=1/C21H17NO2/c1-15(23)16-9-12-19(13-10-16)22-21(24)14-11-18-7-4-6-
17-5-2-3-8-20(17)18/h2-14H,1H3,(H,22,24)/f/h22H

 
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