
 CHEMBL133579

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.9335   -0.9267    0.7370 C   0  0  0  0  0
    2.2819    0.3343    0.6526 O   0  0  0  0  0
    3.0737    1.4246    0.4203 C   0  0  0  0  0
    2.3824    2.6316    0.2918 C   0  0  0  0  0
    3.0594    3.8391    0.0537 C   0  0  0  0  0
    4.4560    3.8283   -0.0817 C   0  0  0  0  0
    5.2418    5.0942   -0.3134 C   0  0  0  0  0
    4.3907    6.2647   -0.8039 C   0  0  0  0  0
    3.0945    6.3930   -0.0065 C   0  0  0  0  0
    2.2541    5.1071   -0.1165 C   0  0  0  0  0
    2.2652    7.6383   -0.4268 C   0  0  0  0  0
    1.7910    8.2817    0.8383 N   0  0  0  0  0
    2.4923    7.6962    1.7576 C   0  0  0  0  0
    3.3701    6.7270    1.3898 N   0  0  0  0  0
    5.1465    2.6164    0.0627 C   0  0  0  0  0
    4.4614    1.4225    0.3092 C   0  0  0  0  0
    2.1657   -1.6899    0.8974 H   0  0  0  0  0
    3.6190   -0.9598    1.5903 H   0  0  0  0  0
    3.4519   -1.1676   -0.1971 H   0  0  0  0  0
    1.2970    2.6249    0.3765 H   0  0  0  0  0
    5.7314    5.3677    0.6297 H   0  0  0  0  0
    6.0341    4.9078   -1.0487 H   0  0  0  0  0
    4.9867    7.1840   -0.7430 H   0  0  0  0  0
    4.1480    6.1161   -1.8647 H   0  0  0  0  0
    1.7896    5.0580   -1.1103 H   0  0  0  0  0
    1.4447    5.1223    0.6250 H   0  0  0  0  0
    1.4047    7.3758   -1.0509 H   0  0  0  0  0
    2.8713    8.3705   -0.9734 H   0  0  0  0  0
    2.4118    7.9022    2.8365 H   0  0  0  0  0
    3.5203    5.9568    2.0336 H   0  0  0  0  0
    6.2319    2.5943   -0.0177 H   0  0  0  0  0
    5.0429    0.5124    0.4091 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 14  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL133579

>  <PubChem CID>
10036256

>  <Formula>
C13H16N2O

>  <Molecular Weight>
216.284000

>  <IUPAC Name>
6'-methoxyspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(CCC3(C2)CN=CN3)C=C1

>  <Isomeric SMILES>
COC1=CC2=C(CCC3(C2)CN=CN3)C=C1

>  <InChI Std. ID>
InChI=1S/C13H16N2O/c1-16-12-3-2-10-4-5-13(7-11(10)6-12)8-14-9-15-13/h2-3,6,9H,4-5,7-8H2,1H3,(H,14,15)

>  <InChI Key>
PCMFDIVLXLOWGP-UHFFFAOYSA-N

