
 SR-02000000331

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M  END

>  <Chemical Name>
SR-02000000331

>  <PubChem CID>
44640170

>  <Formula>
C22H22ClN3O3

>  <Molecular Weight>
411.886000

>  <IUPAC Name>
[1-(benzylamino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

>  <Isomeric SMILES>
CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H22ClN3O3/c1-15-19(20(23)26(25-15)14-18-11-7-4-8-12-18)22(28)29-16(2)21(27)24-13-17-9-5-3-6-10-17/h3-12,16H,13-14H2,1-2H3,(H,24,27)

>  <InChI Key>
CYFZABLBALEVFQ-UHFFFAOYSA-N

