
 CHEMBL2207635

 53 56  0  0  0  0  0  0  0  0999 V2000
    6.7504    2.7935   -2.8373 C   0  0  0  0  0
    6.7039    1.9031   -1.7200 O   0  0  0  0  0
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    4.6595    0.7533   -1.0597 C   0  0  0  0  0
    4.9741   -0.5134   -1.6140 N   0  0  0  0  0
    4.7081   -1.6643   -0.7105 C   0  0  0  0  0
    4.8990   -3.0166   -1.4348 C   0  0  0  0  0
    6.2059   -3.1989   -2.1006 N   0  0  0  0  0
    6.3871   -2.0551   -3.0206 C   0  0  0  0  0
    6.2305   -0.6521   -2.3831 C   0  0  0  0  0
    7.3260   -3.2961   -1.1467 C   0  0  0  0  0
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    7.1145   -6.6584    0.6686 C   0  0  0  0  0
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    7.4628   -8.8742   -1.4765 C   0  0  0  0  0
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    8.1267   -5.4702    3.8146 O   0  0  0  0  0
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    5.8082    2.8077   -3.3989 H   0  0  0  0  0
    7.5367    2.4397   -3.5123 H   0  0  0  0  0
    5.7456    3.9757   -0.4998 H   0  0  0  0  0
    3.5587    4.1522    0.6266 H   0  0  0  0  0
    2.0339    2.1927    0.6509 H   0  0  0  0  0
    2.6799    0.1116   -0.4193 H   0  0  0  0  0
    3.6775   -1.6665   -0.3434 H   0  0  0  0  0
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    8.2615   -3.4014   -1.7123 H   0  0  0  0  0
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    7.2793   -5.7014   -2.6748 H   0  0  0  0  0
    6.8736   -7.9558   -3.2652 H   0  0  0  0  0
    7.4057   -9.8756   -1.8912 H   0  0  0  0  0
    8.9327   -8.4800   -0.0396 H   0  0  0  0  0
    5.9618   -8.3840    0.6782 H   0  0  0  0  0
    6.9472   -7.0866    3.3870 H   0  0  0  0  0
    6.0965   -5.5455    3.5542 H   0  0  0  0  0
    8.9108   -5.7879    3.3337 H   0  0  0  0  0
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  6  7  1  0  0  0
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  7 34  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2207635

>  <PubChem CID>
71456045

>  <Formula>
C23H26N2O2

>  <Molecular Weight>
362.473000

>  <IUPAC Name>
[3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]azulen-1-yl]methanol

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C3=CC=CC=C4)CO

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=C4C3=CC=CC=C4)CO

>  <InChI Std. ID>
InChI=1S/C23H26N2O2/c1-27-23-10-6-5-9-22(23)25-13-11-24(12-14-25)16-18-15-19(17-26)21-8-4-2-3-7-20(18)21/h2-10,15,26H,11-14,16-17H2,1H3

>  <InChI Key>
NUTCIQIPIDPFOT-UHFFFAOYSA-N

