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Blonanserin ,Lonasen,Blonanserin [INN],Blonanserin (JAN),AD 5423 ,AD-5

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摘 要:Blonanserin ,Lonasen,Blonanserin [INN],Blonanserin (JAN),AD 5423 ,AD-5423 ,PDSP1_000720,PDSP2_000710,LS-57714,D01176, 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,,10-hexahydrocycloocta[b]pyridine,Canonical SMILES: CCN1CCN(CC1)C2=NC3=C(CCCC
[Synonyms]
Blonanserin
Lonasen
Blonanserin [INN]
Blonanserin (JAN)
AD 5423
AD-5423
PDSP1_000720
PDSP2_000710
LS-57714
D01176

[Structure]
Blonanserin ,Lonasen,Blonanserin [INN],Blonanserin (JAN),AD 5423 ,AD-5

[ Properties Computed from Structure]
Molecular Weight367.502803 [g/mol]
Molecular FormulaC23H30FN3
XLogP5.9
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count3
Exact Mass367.242376
MonoIsotopic Mass367.242376
Topological Polar Surface Area19.4
Heavy Atom Count27
Formal Charge0
Complexity443
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: 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,
10-hexahydrocycloocta[b]pyridine
Canonical SMILES: CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
InChI: InChI=1/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-
10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3

 
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