
 fauc-3019

 49 52  0  0  0  0  0  0  0  0999 V2000
    6.6096    3.2346   -2.7783 C   0  0  0  0  0
    6.2459    2.1710   -1.9064 O   0  0  0  0  0
    5.2558    2.4299   -0.9885 C   0  0  0  0  0
    5.1241    3.7181   -0.4343 C   0  0  0  0  0
    4.1656    3.9903    0.5375 C   0  0  0  0  0
    3.3199    2.9795    0.9619 C   0  0  0  0  0
    3.4481    1.6959    0.4239 C   0  0  0  0  0
    4.4323    1.3619   -0.5366 C   0  0  0  0  0
    4.4824    0.0120   -0.9819 N   0  0  0  0  0
    4.6204   -0.9644    0.1320 C   0  0  0  0  0
    4.5991   -2.4309   -0.3624 C   0  0  0  0  0
    5.5360   -2.7486   -1.4632 N   0  0  0  0  0
    5.2302   -1.7982   -2.5608 C   0  0  0  0  0
    5.3100   -0.3034   -2.1663 C   0  0  0  0  0
    6.9470   -2.6227   -1.0454 C   0  0  0  0  0
    7.3799   -3.6233   -0.0193 C   0  0  0  0  0
    7.8556   -3.4060    1.2268 C   0  0  0  0  0
    8.0145   -2.1451    1.9311 C   0  0  0  0  0
    9.1804   -2.0257    2.6009 C   0  0  0  0  0
    9.2403   -2.6820    3.9053 C   0  0  0  0  0
    9.0000   -3.9989    4.0627 C   0  0  0  0  0
    8.6873   -4.9731    3.0134 C   0  0  0  0  0
    8.1829   -4.7280    1.7892 C   0  0  0  0  0
    7.8739   -5.7221    0.7825 C   0  0  0  0  0
    7.3980   -5.0612   -0.2865 C   0  0  0  0  0
    7.1701    2.8015   -3.6127 H   0  0  0  0  0
    7.2721    3.9427   -2.2714 H   0  0  0  0  0
    5.7308    3.7398   -3.1930 H   0  0  0  0  0
    5.7830    4.5281   -0.7300 H   0  0  0  0  0
    4.0825    4.9883    0.9587 H   0  0  0  0  0
    2.5583    3.1801    1.7102 H   0  0  0  0  0
    2.7378    0.9440    0.7578 H   0  0  0  0  0
    3.7941   -0.8744    0.8451 H   0  0  0  0  0
    5.5473   -0.7663    0.6820 H   0  0  0  0  0
    4.7600   -3.1052    0.4869 H   0  0  0  0  0
    3.5836   -2.6615   -0.7145 H   0  0  0  0  0
    5.9010   -1.9865   -3.4084 H   0  0  0  0  0
    4.2195   -2.0140   -2.9325 H   0  0  0  0  0
    6.3637   -0.0775   -1.9764 H   0  0  0  0  0
    4.9674    0.2861   -3.0252 H   0  0  0  0  0
    7.1787   -1.6143   -0.6865 H   0  0  0  0  0
    7.5848   -2.7737   -1.9269 H   0  0  0  0  0
    7.0945   -1.9466    2.4897 H   0  0  0  0  0
   10.1071   -2.2245    2.0539 H   0  0  0  0  0
    9.4948   -2.0571    4.7567 H   0  0  0  0  0
    9.0729   -4.4194    5.0643 H   0  0  0  0  0
    8.8775   -6.0064    3.2990 H   0  0  0  0  0
    8.0011   -6.7875    0.8803 H   0  0  0  0  0
    7.0624   -5.4987   -1.2148 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
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 11 36  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
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 15 42  1  0  0  0
 16 17  2  0  0  0
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 17 23  1  0  0  0
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 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
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 21 22  1  0  0  0
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 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
fauc-3019

>  <PubChem CID>
3716121

>  <Formula>
C22H24N2O

>  <Molecular Weight>
332.447000

>  <IUPAC Name>
1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=C4C=CC=CC=C4C=C3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=C4C=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3

>  <InChI Key>
MNVDCQLMHFFYCU-UHFFFAOYSA-N

