
 CHEMBL1087301

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.7067   -0.2841    0.5349 C   0  0  0  0  0
    3.0635    0.1280   -0.2032 N   0  0  0  0  0
    3.0598    1.7109    0.4670 C   0  0  0  0  0
    4.3350    2.5467    0.7667 C   0  0  0  0  0
    5.1329    3.7928    0.5582 C   0  0  0  0  0
    4.6181    5.0262    0.9688 C   0  0  0  0  0
    5.2761    6.1982    0.6106 C   0  0  0  0  0
    6.4512    6.1411   -0.1376 C   0  0  0  0  0
    6.9918    4.9093   -0.5236 C   0  0  0  0  0
    6.3574    3.6954   -0.1995 C   0  0  0  0  0
    7.0448    2.4134   -0.7702 C   0  0  0  0  0
    6.3037    1.1259   -0.5847 C   0  0  0  0  0
    6.6581   -0.2227   -0.8206 C   0  0  0  0  0
    5.9502   -0.9484   -2.0321 C   0  0  0  0  0
    4.1226   -0.7756   -1.7770 C   0  0  0  0  0
    6.2537   -0.8447    0.3927 N   0  0  0  0  0
    4.8871   -0.7852    0.1288 C   0  0  0  0  0
    3.5349   -1.9449   -0.1580 C   0  0  0  0  0
    2.2258   -1.5167   -1.3609 C   0  0  0  0  0
    2.2168    0.0692   -2.1707 C   0  0  0  0  0
    3.5927    1.2115   -1.9402 C   0  0  0  0  0
    4.9677    0.7561   -0.8215 C   0  0  0  0  0
    1.7645   -0.0012    1.5955 H   0  0  0  0  0
    1.4395   -1.3450    0.6554 H   0  0  0  0  0
    0.8626    0.2591    0.0907 H   0  0  0  0  0
    2.6409    1.6184    1.4782 H   0  0  0  0  0
    2.3050    2.2933   -0.0866 H   0  0  0  0  0
    4.3884    2.6140   -0.3099 H   0  0  0  0  0
    4.9810    1.9084    1.3756 H   0  0  0  0  0
    3.6860    5.0749    1.5243 H   0  0  0  0  0
    4.8587    7.1608    0.8952 H   0  0  0  0  0
    6.9440    7.0630   -0.4353 H   0  0  0  0  0
    7.9058    4.9054   -1.1164 H   0  0  0  0  0
    8.0131    2.3219   -0.2633 H   0  0  0  0  0
    7.2287    2.5635   -1.8398 H   0  0  0  0  0
    6.1964   -2.0169   -2.0535 H   0  0  0  0  0
    6.2062   -0.4595   -2.9803 H   0  0  0  0  0
    3.9441   -0.4789   -2.8641 H   0  0  0  0  0
    3.9944   -1.8792   -2.0313 H   0  0  0  0  0
    6.6740   -1.7009    0.7185 H   0  0  0  0  0
    3.6419   -2.9414    0.2567 H   0  0  0  0  0
    1.4472   -2.2453   -1.5783 H   0  0  0  0  0
    1.4338    0.3177   -2.8803 H   0  0  0  0  0
    3.7060    2.1130   -2.5292 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 22  1  0  0  0
 12 13  2  0  0  0
 13 16  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
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 16 40  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1087301

>  <PubChem CID>
45379370

>  <Formula>
C20H22N2

>  <Molecular Weight>
290.410000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)NC4=CC=CC=C34

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)NC4=CC=CC=C34

>  <InChI Std. ID>
InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-18-17-8-4-5-9-19(17)21-20(18)11-13-22/h2-9,21H,10-14H2,1H3

>  <InChI Key>
CYMMDQPIVHDAPZ-UHFFFAOYSA-N

