
 L-741,626

 45 48  0  0  0  0  0  0  0  0999 V2000
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    0.2394    0.9409    1.1965 C   0  0  0  0  0
   -0.5077   -0.1633    0.5791 N   0  0  0  0  0
    0.3761   -1.2960    0.2627 C   0  0  0  0  0
    1.4963   -0.8794   -0.6932 C   0  0  0  0  0
    2.2967    0.3256   -0.1713 C   0  0  0  0  0
    3.2807    0.8251   -1.2390 C   0  0  0  0  0
    4.6727    0.7721   -1.0396 C   0  0  0  0  0
    5.5646    1.2301   -2.0146 C   0  0  0  0  0
    5.0770    1.7483   -3.2089 C   0  0  0  0  0
    3.7062    1.8089   -3.4378 C   0  0  0  0  0
    2.8166    1.3489   -2.4615 C   0  0  0  0  0
    6.1722    2.3162   -4.4083 Cl  0  0  0  0  0
    3.0607   -0.0934    0.9742 O   0  0  0  0  0
   -1.6170   -0.5680    1.4676 C   0  0  0  0  0
   -2.5427   -1.5148    0.7660 C   0  0  0  0  0
   -3.3106   -1.2398   -0.3519 C   0  0  0  0  0
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   -3.7066   -3.3893    0.1818 C   0  0  0  0  0
   -4.1673   -4.7110    0.2126 C   0  0  0  0  0
   -3.6987   -5.5383    1.2362 C   0  0  0  0  0
   -2.8058   -5.0602    2.1922 C   0  0  0  0  0
   -2.3524   -3.7366    2.1445 C   0  0  0  0  0
   -2.8066   -2.8800    1.1198 C   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
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M  END

>  <Chemical Name>
L-741,626

>  <PubChem CID>
133633

>  <Formula>
C20H21ClN2O

>  <Molecular Weight>
340.851000

>  <IUPAC Name>
4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2

>  <InChI Key>
LLBLNMUONVVVPG-UHFFFAOYSA-N

