
 CHEMBL534483

 53 56  0  0  0  0  0  0  0  0999 V2000
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    6.1337   -2.6088    2.4670 H   0  0  0  0  0
    7.2353   -0.5232    1.7824 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL534483

>  <PubChem CID>
10456394

>  <Formula>
C22H24ClN3O3

>  <Molecular Weight>
413.902000

>  <IUPAC Name>
N-(4-chlorophenyl)-2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C22H24ClN3O3/c1-15-3-2-4-16-14-29-22(28)26(21(15)16)19-9-11-25(12-10-19)13-20(27)24-18-7-5-17(23)6-8-18/h2-8,19H,9-14H2,1H3,(H,24,27)

>  <InChI Key>
IQLZMOLGOMDVTI-UHFFFAOYSA-N

