
 SCHEMBL17334282

 46 49  0  0  0  0  0  0  0  0999 V2000
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    5.3611   -1.4037   -1.1430 O   0  0  0  0  0
    5.5148   -0.0472   -1.2175 C   0  0  0  0  0
    6.1753    0.4196   -2.3521 C   0  0  0  0  0
    6.4016    1.7895   -2.5310 C   0  0  0  0  0
    5.9935    2.7225   -1.5709 C   0  0  0  0  0
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    5.0392    0.8726   -0.2883 C   0  0  0  0  0
    6.1916    4.0864   -1.8165 N   0  0  0  0  0
    6.3680    4.9733   -0.6621 C   0  0  0  0  0
    6.6906    6.4081   -0.9889 C   0  0  0  0  0
    7.7546    6.7411   -1.7435 N   0  0  0  0  0
    7.6858    8.0804   -1.7936 N   0  0  0  0  0
    8.6124    8.8726   -2.5614 C   0  0  0  0  0
    8.7264   10.2531   -1.9246 C   0  0  0  0  0
    7.4308   10.8688   -1.5652 N   0  0  0  0  0
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    6.0900   12.9635   -1.4858 C   0  0  0  0  0
    5.9926   14.3612   -1.4452 C   0  0  0  0  0
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    8.4800   13.1237   -1.5738 C   0  0  0  0  0
    7.0310   16.8502   -1.4229 Cl  0  0  0  0  0
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    7.1777    4.5893   -0.0271 H   0  0  0  0  0
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    9.3138   10.1907   -0.9989 H   0  0  0  0  0
    9.2618   10.8846   -2.6409 H   0  0  0  0  0
    5.0763    7.6011    0.0334 H   0  0  0  0  0
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    5.0121   14.8274   -1.3933 H   0  0  0  0  0
    9.2942   15.1223   -1.5634 H   0  0  0  0  0
    9.4812   12.7051   -1.5886 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334282

>  <PubChem CID>
118575042

>  <Formula>
C20H19ClN4O2

>  <Molecular Weight>
382.848000

>  <IUPAC Name>
5-(4-chlorophenyl)-2-[(4-methoxyanilino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)NCC2=NN3CCN(C(=O)C3=C2)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H19ClN4O2/c1-27-18-8-4-15(5-9-18)22-13-16-12-19-20(26)24(10-11-25(19)23-16)17-6-2-14(21)3-7-17/h2-9,12,22H,10-11,13H2,1H3

>  <InChI Key>
FJYICPGZLJKASN-UHFFFAOYSA-N

