
 Osanetant

 83 87  0  0  0  0  0  0  0  0999 V2000
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   13.3546    5.8034    2.4680 Cl  0  0  0  0  0
   11.9637    2.8626    2.4178 Cl  0  0  0  0  0
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    1.9980    8.9499    6.1568 C   0  0  0  0  0
    2.3443   10.2218    5.7204 C   0  0  0  0  0
    3.2722   10.3588    4.6987 C   0  0  0  0  0
    3.8639    9.2256    4.1253 C   0  0  0  0  0
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    2.4198    3.3042    6.6659 H   0  0  0  0  0
    5.5271    4.8008    6.6129 H   0  0  0  0  0
    5.5714    6.5481    6.3362 H   0  0  0  0  0
    6.4268    5.4059    5.2568 H   0  0  0  0  0
    6.3322    7.3067    4.1315 H   0  0  0  0  0
    5.5807    7.8570    2.6631 H   0  0  0  0  0
    7.2190    6.2405    2.1664 H   0  0  0  0  0
    6.4323    4.9759    3.1044 H   0  0  0  0  0
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    8.3279    3.6096   -5.6432 H   0  0  0  0  0
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    7.0423    7.2424   -9.2863 H   0  0  0  0  0
    8.1866    7.5723   -7.1107 H   0  0  0  0  0
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M  END

>  <Chemical Name>
Osanetant

>  <PubChem CID>
219077

>  <Formula>
C35H41Cl2N3O2

>  <Molecular Weight>
606.632000

>  <IUPAC Name>
N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide

>  <XlogP>
7.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N(C)C1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)N(C)C1(CCN(CC1)CCC[C@@]2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1

>  <InChI Key>
DZOJBGLFWINFBF-UMSFTDKQSA-N

