
 T-226296

 57 60  0  0  0  0  0  0  0  0999 V2000
    2.1702    3.3624    0.7711 C   0  0  0  0  0
    1.9223    1.9408    1.0187 N   0  0  0  0  0
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    8.4334    0.4672    2.3908 C   0  0  0  0  0
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   10.4966    0.0883    1.2218 N   0  0  0  0  0
   11.3509   -0.1964    0.1693 C   0  0  0  0  0
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    3.2193    3.6172    0.9557 H   0  0  0  0  0
    1.5872    3.9823    1.4634 H   0  0  0  0  0
    1.9102    3.6585   -0.2513 H   0  0  0  0  0
   -0.0508    2.3086    1.7071 H   0  0  0  0  0
    0.2635    0.6424    1.2487 H   0  0  0  0  0
    0.0509    1.8781   -0.0101 H   0  0  0  0  0
    2.2075    1.2967   -0.9743 H   0  0  0  0  0
    2.3263    0.0347    0.2452 H   0  0  0  0  0
    4.4394    2.1802   -0.2929 H   0  0  0  0  0
    4.1810    0.4111   -2.0554 H   0  0  0  0  0
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M  END

>  <Chemical Name>
T-226296

>  <PubChem CID>
9865843

>  <Formula>
C26H27FN2O

>  <Molecular Weight>
402.513000

>  <IUPAC Name>
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN(C)CC1CCC2=C(C1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)

>  <InChI Key>
GXAQELJVODWLDD-UHFFFAOYSA-N

