
 CHEMBL541121

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL541121

>  <PubChem CID>
10325002

>  <Formula>
C28H26ClN3O4

>  <Molecular Weight>
503.983000

>  <IUPAC Name>
N-(4-benzoylphenyl)-2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H26ClN3O4/c29-22-8-11-25-21(16-22)18-36-28(35)32(25)24-12-14-31(15-13-24)17-26(33)30-23-9-6-20(7-10-23)27(34)19-4-2-1-3-5-19/h1-11,16,24H,12-15,17-18H2,(H,30,33)

>  <InChI Key>
UOVALICTZSCIEC-UHFFFAOYSA-N

