
 CHEMBL3416867

 45 49  0  0  0  0  0  0  0  0999 V2000
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   -2.4740   -0.6257    1.0994 C   0  0  0  0  0
   -3.2709   -0.1105   -0.0090 N   0  0  0  0  0
   -2.7716   -0.5219   -1.3201 C   0  0  0  0  0
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    0.9601    0.0904   -0.5038 C   0  0  0  0  0
    1.3928    1.4057   -0.5938 C   0  0  0  0  0
    2.7631    1.6507   -0.7037 C   0  0  0  0  0
    3.6772    0.5873   -0.7181 C   0  0  0  0  0
    3.2304   -0.7319   -0.6221 C   0  0  0  0  0
    1.8676   -0.9585   -0.5181 C   0  0  0  0  0
    1.1448   -2.2443   -0.3820 C   0  0  0  0  0
   -0.2567   -1.8969   -0.4627 O   0  0  0  0  0
   -3.9802    1.0811    0.2045 C   0  0  0  0  0
   -3.8628    1.7106    1.2553 O   0  0  0  0  0
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   -6.1589    2.9370   -2.1534 C   0  0  0  0  0
   -6.7054    4.1170   -2.6735 C   0  0  0  0  0
   -6.2743    5.3286   -2.1253 C   0  0  0  0  0
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   -7.0697    1.3298   -3.1860 H   0  0  0  0  0
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   -5.0130    6.3085   -0.6830 H   0  0  0  0  0
   -4.0669    4.1992    0.2114 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3416867

>  <PubChem CID>
15952030

>  <Formula>
C21H20N2O2

>  <Molecular Weight>
332.403000

>  <IUPAC Name>
1H-indol-3-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC12C3=CC=CC=C3CO2)C(=O)C4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCC12C3=CC=CC=C3CO2)C(=O)C4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C21H20N2O2/c24-20(17-13-22-19-8-4-2-6-16(17)19)23-11-9-21(10-12-23)18-7-3-1-5-15(18)14-25-21/h1-8,13,22H,9-12,14H2

>  <InChI Key>
HQZJVHRNLPZSAT-UHFFFAOYSA-N

