
 SCHEMBL17334418

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    1.6324   -6.8476   -0.4720 O   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334418

>  <PubChem CID>
118575178

>  <Formula>
C21H21ClN4O2

>  <Molecular Weight>
396.875000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC1=NN2CCN(C(=O)C2=C1)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CN(CC1=NN2CCN(C(=O)C2=C1)C3=CC=CC=C3Cl)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C21H21ClN4O2/c1-24(16-7-9-17(28-2)10-8-16)14-15-13-20-21(27)25(11-12-26(20)23-15)19-6-4-3-5-18(19)22/h3-10,13H,11-12,14H2,1-2H3

>  <InChI Key>
CZLOOFOZFGTQIK-UHFFFAOYSA-N

