
 CHEMBL11313

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL11313

>  <PubChem CID>
44267118

>  <Formula>
C23H25ClN2O2

>  <Molecular Weight>
396.915000

>  <IUPAC Name>
1-[4-[8-chloro-3-(1-hydroxyethyl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene]piperidin-1-yl]ethanone

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CN=C2C(=C1)CCC3=C(C2=C4CCN(CC4)C(=O)C)C=CC(=C3)Cl)O

>  <Isomeric SMILES>
CC(C1=CN=C2C(=C1)CCC3=C(C2=C4CCN(CC4)C(=O)C)C=CC(=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C23H25ClN2O2/c1-14(27)19-11-18-4-3-17-12-20(24)5-6-21(17)22(23(18)25-13-19)16-7-9-26(10-8-16)15(2)28/h5-6,11-14,27H,3-4,7-10H2,1-2H3

>  <InChI Key>
FTRLGWYKFAFTDF-UHFFFAOYSA-N

