
 SCHEMBL9926434

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    2.8310    1.3355    0.8784 N   0  0  0  0  0
    3.6606    4.7544    1.4312 C   0  0  0  0  0
    4.4782    5.2490    0.3607 O   0  0  0  0  0
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    4.7625    5.2955   -1.9540 C   0  0  0  0  0
    4.2931    5.4581   -3.2590 C   0  0  0  0  0
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    2.0791    5.8699   -2.4007 C   0  0  0  0  0
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    3.2293   -3.9403   -0.3172 C   0  0  0  0  0
    2.6705   -5.1305   -0.7710 C   0  0  0  0  0
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    3.2219   -4.8531    1.9304 C   0  0  0  0  0
    2.4328   -7.1338    2.3617 C   0  0  0  0  0
    2.2292   -8.0127    3.0984 N   0  0  0  0  0
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    1.9589   -7.0999   -0.3000 H   0  0  0  0  0
    3.4731   -4.7433    2.9860 H   0  0  0  0  0
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  1 30  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL9926434

>  <PubChem CID>
67968138

>  <Formula>
C22H19FN4O2

>  <Molecular Weight>
390.418000

>  <IUPAC Name>
3-fluoro-5-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]benzonitrile

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN(CC2=CC(=NN12)COC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)C#N)F

>  <Isomeric SMILES>
CC1CN(CC2=CC(=NN12)COC3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)C#N)F

>  <InChI Std. ID>
InChI=1S/C22H19FN4O2/c1-15-12-26(22(28)17-7-16(11-24)8-18(23)9-17)13-20-10-19(25-27(15)20)14-29-21-5-3-2-4-6-21/h2-10,15H,12-14H2,1H3

>  <InChI Key>
AOXJCLIMCPUIMY-UHFFFAOYSA-N

