
 CHEMBL1171886

 51 54  0  0  0  0  0  0  0  0999 V2000
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    1.8995   -0.6132    3.1620 H   0  0  0  0  0
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    2.6113    0.3784    0.9843 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1171886

>  <PubChem CID>
24771420

>  <Formula>
C21H24ClN3O2

>  <Molecular Weight>
385.892000

>  <IUPAC Name>
[6-(4-chlorophenoxy)pyridin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CC(C1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)OC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H24ClN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2

>  <InChI Key>
AHYIQKYLWZRVTE-UHFFFAOYSA-N

