
 CHEMBL534483

 55 57  0  0  0  0  0  0  0  0999 V2000
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    0.2308    2.3545    0.2099 Cl  0  0  0  0  0
    6.3241   -3.7859   -2.4681 H   0  0  0  0  0
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  3 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL534483

>  <PubChem CID>
10456393

>  <Formula>
C22H25Cl2N3O3

>  <Molecular Weight>
450.360000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C22H24ClN3O3.ClH/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);1H

>  <InChI Key>
DHXXXWJKLNKQOV-UHFFFAOYSA-N

