
 CHEMBL134877

 59 62  0  0  0  0  0  0  0  0999 V2000
    7.0411   -0.0156    2.8763 C   0  0  0  0  0
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    7.8346    0.7348    2.8920 H   0  0  0  0  0
    7.3921   -0.9556    3.3105 H   0  0  0  0  0
    5.1558    1.2614    1.2904 H   0  0  0  0  0
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    6.1749  -10.2225   -3.4778 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL134877

>  <PubChem CID>
10364365

>  <Formula>
C26H28N4O

>  <Molecular Weight>
412.537000

>  <IUPAC Name>
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)acetonitrile

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C=CC(=C1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1C=CC(=C1)C(C#N)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H28N4O/c1-28-13-12-23(20-28)25(19-27)29-14-16-30(17-15-29)26(31)18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,20,24-25H,14-18H2,1H3

>  <InChI Key>
GLGGFRRLQSUHIT-UHFFFAOYSA-N

