
 BDBM252811

 59 63  0  0  0  0  0  0  0  0999 V2000
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    7.5139   -0.5076    1.4296 C   0  0  0  0  0
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    9.8141    0.4418    2.7198 N   0  0  0  0  0
    8.6122    1.0423    2.9033 C   0  0  0  0  0
    7.4511    0.5949    2.2818 C   0  0  0  0  0
    8.5751    2.2673    3.7787 C   0  0  0  0  0
    7.3496    2.5060    4.3334 F   0  0  0  0  0
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    2.5906    0.2168    1.1730 H   0  0  0  0  0
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    5.6483   -4.8866    0.9914 H   0  0  0  0  0
    2.6583   -8.2312    0.5109 H   0  0  0  0  0
    1.8088   -9.9598   -1.8868 H   0  0  0  0  0
    1.5500  -10.3377   -0.1249 H   0  0  0  0  0
    4.0441  -10.3370    0.2462 H   0  0  0  0  0
    4.3009   -9.9647   -1.5179 H   0  0  0  0  0
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    9.2931    2.1706    4.5986 H   0  0  0  0  0
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    4.2275    1.0316   -1.8267 H   0  0  0  0  0
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M  END

>  <Chemical Name>
BDBM252811

>  <PubChem CID>
131636429

>  <Formula>
C25H28FN3O2

>  <Molecular Weight>
421.516000

>  <IUPAC Name>
(6R)-3-(4-cyclopropyloxy-3-methylphenyl)-1-[2-(fluoromethyl)-6-methylpyridin-4-yl]-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CN2C(=C(N=C2C3=CC(=C(C=C3)OC4CC4)C)C5=CC(=NC(=C5)CF)C)CCO1

>  <Isomeric SMILES>
C[C@@H]1CN2C(=C(N=C2C3=CC(=C(C=C3)OC4CC4)C)C5=CC(=NC(=C5)CF)C)CCO1

>  <InChI Std. ID>
InChI=1S/C25H28FN3O2/c1-15-10-18(4-7-23(15)31-21-5-6-21)25-28-24(19-11-16(2)27-20(12-19)13-26)22-8-9-30-17(3)14-29(22)25/h4,7,10-12,17,21H,5-6,8-9,13-14H2,1-3H3/t17-/m1/s1

>  <InChI Key>
AOKFYLVAJDLEJH-QGZVFWFLSA-N

