
 SCHEMBL1279043

 48 51  0  0  0  0  0  0  0  0999 V2000
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    2.3633    3.6067   -2.2045 C   0  0  0  0  0
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   -0.6353    4.0507   -0.4413 C   0  0  0  0  0
    0.3459    4.5421   -1.2059 N   0  0  0  0  0
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1279043

>  <PubChem CID>
57422328

>  <Formula>
C19H20N4O5

>  <Molecular Weight>
384.392000

>  <IUPAC Name>
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C3=CC4=C(C(=C3)OC)OCCO4

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)NC(=O)C3=CC4=C(C(=C3)OC)OCCO4

>  <InChI Std. ID>
InChI=1S/C19H20N4O5/c1-11-15(12(2)28-22-11)10-23-9-14(8-20-23)21-19(24)13-6-16(25-3)18-17(7-13)26-4-5-27-18/h6-9H,4-5,10H2,1-3H3,(H,21,24)

>  <InChI Key>
GTRVUCXRYNIUCO-UHFFFAOYSA-N

