
 SCHEMBL15987882

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL15987882

>  <PubChem CID>
86581748

>  <Formula>
C26H30F3N5O3

>  <Molecular Weight>
517.553000

>  <IUPAC Name>
2-[1-[4-(2-morpholin-4-ylethyl)phenyl]-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-propan-2-ylacetamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)NC(=O)CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)CCN4CCOCC4

>  <Isomeric SMILES>
CC(C)NC(=O)CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)CCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C26H30F3N5O3/c1-18(2)30-24(35)17-23-31-34(25(36)33(23)22-5-3-4-20(16-22)26(27,28)29)21-8-6-19(7-9-21)10-11-32-12-14-37-15-13-32/h3-9,16,18H,10-15,17H2,1-2H3,(H,30,35)

>  <InChI Key>
CBCHYYXIDCNZCU-UHFFFAOYSA-N

