
 CHEMBL534710

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

>  <Chemical Name>
CHEMBL534710

>  <PubChem CID>
10436218

>  <Formula>
C28H27N3O4

>  <Molecular Weight>
469.541000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5

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

>  <InChI Key>
AVPZJWCHLVXESF-UHFFFAOYSA-N

