
 CHEMBL1964400

 44 47  0  0  0  0  0  0  0  0999 V2000
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    0.0172   -4.4941    4.7159 C   0  0  0  0  0
   -0.2138   -3.9891    3.4337 C   0  0  0  0  0
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   -0.7206    0.1890    2.8951 C   0  0  0  0  0
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   -0.7736   -2.8736    0.6510 C   0  0  0  0  0
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   -6.4248   -4.2016   -0.5379 Cl  0  0  0  0  0
   -4.2757   -6.4901    0.1312 C   0  0  0  0  0
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   -2.6752   -7.9280   -1.4106 N   0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1964400

>  <PubChem CID>
53346541

>  <Formula>
C23H14ClF2N3O

>  <Molecular Weight>
421.832000

>  <IUPAC Name>
2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-(2,3-difluorophenyl)acetonitrile

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)C(C#N)C4=C(C(=CC=C4)F)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)Cl)C(C#N)C4=C(C(=CC=C4)F)F

>  <InChI Std. ID>
InChI=1S/C23H14ClF2N3O/c24-19-12-28-29(13-15-7-3-6-14-5-1-2-8-16(14)15)23(30)21(19)18(11-27)17-9-4-10-20(25)22(17)26/h1-10,12,18H,13H2

>  <InChI Key>
FCSSEUSXAZCKNE-UHFFFAOYSA-N

