
 CHEMBL87173

 50 53  0  0  0  0  0  0  0  0999 V2000
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    1.2659   -4.2185    2.7776 C   0  0  0  0  0
    0.3043   -5.0014    3.5038 O   0  0  0  0  0
    0.8614   -5.8286    4.4424 C   0  0  0  0  0
    1.7401   -5.3675    5.4241 C   0  0  0  0  0
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    0.9004   -8.0769    5.3879 C   0  0  0  0  0
    0.4282   -7.1646    4.4371 C   0  0  0  0  0
    2.4301   -8.3297    7.4389 C   0  0  0  0  0
    2.3442   -9.6501    7.8478 C   0  0  0  0  0
    3.0896  -10.0516    8.9646 C   0  0  0  0  0
    3.9072   -9.1403    9.6586 C   0  0  0  0  0
    3.9937   -7.8098    9.2493 C   0  0  0  0  0
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    3.7080   -3.9825    7.0678 O   0  0  0  0  0
    4.5071   -2.9118    7.5812 C   0  0  0  0  0
    4.8347   -1.9683    6.5047 C   0  0  0  0  0
    5.1130   -1.2125    5.6664 N   0  0  0  0  0
    1.6201   -0.6291   -1.4545 H   0  0  0  0  0
    0.3472   -1.6650   -2.0968 H   0  0  0  0  0
    2.4566   -2.9079   -1.4791 H   0  0  0  0  0
    1.0264   -3.5174   -0.6560 H   0  0  0  0  0
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    3.1382   -1.6168    0.4851 H   0  0  0  0  0
    0.0013   -0.4477    2.0132 H   0  0  0  0  0
    1.4236    0.0705    1.1454 H   0  0  0  0  0
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   -0.2857   -7.4917    3.6843 H   0  0  0  0  0
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    3.0390  -11.0856    9.3007 H   0  0  0  0  0
    4.4794   -9.4783   10.5200 H   0  0  0  0  0
    4.6233   -7.0953    9.7677 H   0  0  0  0  0
    5.4317   -3.3029    8.0200 H   0  0  0  0  0
    3.9356   -2.4077    8.3686 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
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  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL87173

>  <PubChem CID>
44322539

>  <Formula>
C22H23N3O2

>  <Molecular Weight>
361.445000

>  <IUPAC Name>
2-[(Z)-[2-(2-piperidin-1-ylethoxy)fluoren-9-ylidene]amino]oxyacetonitrile

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)CCOC2=CC3=C(C=C2)C4=CC=CC=C4C3=NOCC#N

>  <Isomeric SMILES>
C1CCN(CC1)CCOC2=CC\3=C(C=C2)C4=CC=CC=C4/C3=N/OCC#N

>  <InChI Std. ID>
InChI=1S/C22H23N3O2/c23-10-14-27-24-22-20-7-3-2-6-18(20)19-9-8-17(16-21(19)22)26-15-13-25-11-4-1-5-12-25/h2-3,6-9,16H,1,4-5,11-15H2/b24-22-

>  <InChI Key>
ADCVPCDNQCRWBH-GYHWCHFESA-N

