
 CHEMBL68739

 45 47  0  0  0  0  0  0  0  0999 V2000
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   -2.1801    0.7998   -1.6999 C   0  0  0  0  0
   -5.4643    0.5900    1.5951 O   0  0  0  0  0
   -5.8026    0.8775    2.8967 C   0  0  0  0  0
   -6.6309    1.8809    3.2295 C   0  0  0  0  0
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   -6.8751   -1.5387    3.0126 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL68739

>  <PubChem CID>
44309123

>  <Formula>
C18H21Cl2N3O

>  <Molecular Weight>
366.286000

>  <IUPAC Name>
1-[(Z)-2-cyclooctyloxy-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCCC(CCC1)OC(=CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1CCCC(CCC1)O/C(=C\N2C=NC=N2)/C3=C(C=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H21Cl2N3O/c19-14-8-9-16(17(20)10-14)18(11-23-13-21-12-22-23)24-15-6-4-2-1-3-5-7-15/h8-13,15H,1-7H2/b18-11-

>  <InChI Key>
BEPANIVQPGBOQX-WQRHYEAKSA-N

