
 CHEMBL377765

 40 43  0  0  0  0  0  0  0  0999 V2000
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    0.9493   -2.0242   -1.5741 C   0  0  0  0  0
    1.3786   -1.5956   -0.1722 C   0  0  0  0  0
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    3.0078   -4.5309    3.2217 H   0  0  0  0  0
    1.7343   -2.4667    2.7012 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL377765

>  <PubChem CID>
135502653

>  <Formula>
C18H18ClN3

>  <Molecular Weight>
311.813000

>  <IUPAC Name>
3-chloro-6-piperidin-1-yl-11H-benzo[b][1,4]benzodiazepine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

>  <Isomeric SMILES>
C1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C18H18ClN3/c19-13-8-9-16-17(12-13)21-18(22-10-4-1-5-11-22)14-6-2-3-7-15(14)20-16/h2-3,6-9,12,20H,1,4-5,10-11H2

>  <InChI Key>
AIPDTAGTECXKTJ-UHFFFAOYSA-N

