
 SCHEMBL632523

 44 46  0  0  0  0  0  0  0  0999 V2000
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    3.9146   -1.1962    0.4961 C   0  0  0  0  0
    3.1117   -2.0569   -0.4792 C   0  0  0  0  0
    4.0998    0.1682   -0.0574 N   0  0  0  0  0
    2.9222    1.0657   -0.0651 C   0  0  0  0  0
    2.4378    1.5043   -1.4031 C   0  0  0  0  0
    1.6433    2.5588   -1.7960 C   0  0  0  0  0
    1.4569    2.5512   -3.1541 N   0  0  0  0  0
    2.1379    1.5169   -3.5916 C   0  0  0  0  0
    2.7502    0.8528   -2.5697 N   0  0  0  0  0
    5.3557    0.6476   -0.4527 C   0  0  0  0  0
    5.5690    2.0032   -0.7865 C   0  0  0  0  0
    6.8068    2.4962   -1.2359 C   0  0  0  0  0
    7.8717    1.6193   -1.3873 C   0  0  0  0  0
    7.7223    0.2874   -1.0416 C   0  0  0  0  0
    6.4822   -0.1860   -0.5869 C   0  0  0  0  0
    9.0500    2.0201   -1.8838 F   0  0  0  0  0
    6.8293    3.8273   -1.5860 O   0  0  0  0  0
    7.9552    4.5731   -1.3300 C   0  0  0  0  0
    8.7079    4.4634   -0.1548 C   0  0  0  0  0
    9.8294    5.2730    0.0265 C   0  0  0  0  0
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    9.4060    6.3527   -2.0925 C   0  0  0  0  0
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    3.1220    1.9365    0.5727 H   0  0  0  0  0
    2.0634    0.5735    0.4040 H   0  0  0  0  0
    1.1958    3.3240   -1.1747 H   0  0  0  0  0
    2.2270    1.2067   -4.6240 H   0  0  0  0  0
    3.3556    0.0467   -2.6441 H   0  0  0  0  0
    4.7659    2.7318   -0.7195 H   0  0  0  0  0
    8.5647   -0.3887   -1.1450 H   0  0  0  0  0
    6.4407   -1.2484   -0.3769 H   0  0  0  0  0
    8.4355    3.7496    0.6149 H   0  0  0  0  0
   10.4304    5.1700    0.9287 H   0  0  0  0  0
   11.0560    6.8409   -0.7963 H   0  0  0  0  0
    9.6705    7.0943   -2.8408 H   0  0  0  0  0
    7.6859    5.6450   -3.1793 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL632523

>  <PubChem CID>
24948080

>  <Formula>
C19H20FN3O

>  <Molecular Weight>
325.387000

>  <IUPAC Name>
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-phenoxy-N-propan-2-ylaniline

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N(CC1=CN=CN1)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)N(CC1=CN=CN1)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H20FN3O/c1-14(2)23(12-15-11-21-13-22-15)16-8-9-18(20)19(10-16)24-17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,21,22)

>  <InChI Key>
AVBWUVOOKROSBS-UHFFFAOYSA-N

