
 MLS000087136

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M  END

>  <Chemical Name>
MLS000087136

>  <PubChem CID>
3237184

>  <Formula>
C23H21ClN4O4

>  <Molecular Weight>
452.895000

>  <IUPAC Name>
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC

>  <Isomeric SMILES>
CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=O)C3=NOC(=C3)C4=CC(=C(C=C4)OC)OC

>  <InChI Std. ID>
InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)

>  <InChI Key>
AAXMQQXWRPGRCS-UHFFFAOYSA-N

