
 CHEMBL3924565

 47 48  0  0  0  0  0  0  0  0999 V2000
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    2.4687   -0.3219   -0.0571 N   0  0  0  0  0
    2.8684    1.0149    0.4361 C   0  0  0  0  0
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    6.6712   -2.6087    1.6530 C   0  0  0  0  0
    6.3861   -2.1553    2.7536 O   0  0  0  0  0
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    8.2827   -3.9751    0.2585 C   0  0  0  0  0
   11.7150   -5.9279    1.1095 Cl  0  0  0  0  0
   -0.0433   -0.3094   -3.2147 Cl  0  0  0  0  0
    1.4086    2.2308   -0.6687 H   0  0  0  0  0
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    6.3546   -1.7943   -0.3087 H   0  0  0  0  0
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    7.6789   -3.8151   -0.6242 H   0  0  0  0  0
    0.2157    0.6582   -2.2736 H   0  0  0  0  0
  1 11  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3924565

>  <PubChem CID>
134141354

>  <Formula>
C20H23Cl2NO

>  <Molecular Weight>
364.310000

>  <IUPAC Name>
1-(4-chlorophenyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2=CC=CC=C2CN(C1)CCCC(=O)C3=CC=C(C=C3)Cl.Cl

>  <Isomeric SMILES>
C1CC2=CC=CC=C2CN(C1)CCCC(=O)C3=CC=C(C=C3)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C20H22ClNO.ClH/c21-19-11-9-17(10-12-19)20(23)8-4-14-22-13-3-7-16-5-1-2-6-18(16)15-22;/h1-2,5-6,9-12H,3-4,7-8,13-15H2;1H

>  <InChI Key>
FPDLYMXLPOEFDP-UHFFFAOYSA-N

