
 CHEMBL179972

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

>  <Chemical Name>
CHEMBL179972

>  <PubChem CID>
10096226

>  <Formula>
C28H27N3O4

>  <Molecular Weight>
469.541000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=C(C=C4)C(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H27N3O4/c32-26(29-23-12-10-21(11-13-23)27(33)20-6-2-1-3-7-20)18-30-16-14-24(15-17-30)31-25-9-5-4-8-22(25)19-35-28(31)34/h1-13,24H,14-19H2,(H,29,32)

>  <InChI Key>
HODVYAZVXJTHON-UHFFFAOYSA-N

