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N-(4-(1-Pyrrolidinyl)-2-butynyl)benzamide,LS-27407,Benzamide, N-(4-(1-

放大字体  缩小字体 更新日期:2018-02-03  浏览次数:3
摘 要:N-(4-(1-Pyrrolidinyl)-2-butynyl)benzamide,LS-27407,Benzamide, N-(4-(1-pyrrolidinyl)-2-butynyl)-,16795-53-2, N-(4-pyrrolidin-1-ylbut-2-ynyl)benzamide,Canonical SMILES: C1CCN(C1)CC#CCNC(=O)C2=CC=CC=C2,InChI: InChI=1/C15H18N2O/c18-15(14-8-2-1-3-9-14)16-
[Synonyms]
N-(4-(1-Pyrrolidinyl)-2-butynyl)benzamide
LS-27407
Benzamide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
16795-53-2

[Structure]
N-(4-(1-Pyrrolidinyl)-2-butynyl)benzamide,LS-27407,Benzamide, N-(4-(1-

[ Properties Computed from Structure]
Molecular Weight242.31622 [g/mol]
Molecular FormulaC15H18N2O
XLogP2.1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass242.141913
MonoIsotopic Mass242.141913
Topological Polar Surface Area32.3
Heavy Atom Count18
Formal Charge0
Complexity327
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-(4-pyrrolidin-1-ylbut-2-ynyl)benzamide
Canonical SMILES: C1CCN(C1)CC#CCNC(=O)C2=CC=CC=C2
InChI: InChI=1/C15H18N2O/c18-15(14-8-2-1-3-9-14)16-10-4-5-11-17-12-6-7-13-17/
h1-3,8-9H,6-7,10-13H2,(H,16,18)/f/h16H

 
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