
 tolazoline

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.3981   -0.4076    0.9781 C   0  0  0  0  0
   -0.7447   -1.2612   -0.1135 C   0  0  0  0  0
    0.2995   -0.4059   -0.7476 N   0  0  0  0  0
    0.4270    0.6019    0.0788 C   0  0  0  0  0
   -0.3814    0.5954    1.1921 N   0  0  0  0  0
    1.3954    1.7302   -0.1944 C   0  0  0  0  0
    0.7032    3.0643   -0.3424 C   0  0  0  0  0
   -0.2045    3.2778   -1.3896 C   0  0  0  0  0
   -0.8450    4.5093   -1.5311 C   0  0  0  0  0
   -0.5810    5.5404   -0.6314 C   0  0  0  0  0
    0.3237    5.3409    0.4101 C   0  0  0  0  0
    0.9637    4.1089    0.5549 C   0  0  0  0  0
   -2.3178    0.0583    0.6096 H   0  0  0  0  0
   -1.6164   -0.9812    1.8824 H   0  0  0  0  0
   -1.4789   -1.5860   -0.8573 H   0  0  0  0  0
   -0.2632   -2.1484    0.3130 H   0  0  0  0  0
   -0.6875    1.5039    1.5254 H   0  0  0  0  0
    1.9669    1.5151   -1.1048 H   0  0  0  0  0
    2.1106    1.7574    0.6361 H   0  0  0  0  0
   -0.4141    2.4821   -2.1025 H   0  0  0  0  0
   -1.5458    4.6655   -2.3474 H   0  0  0  0  0
   -1.0756    6.5017   -0.7460 H   0  0  0  0  0
    0.5352    6.1479    1.1064 H   0  0  0  0  0
    1.6717    3.9731    1.3695 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  6 18  1  0  0  0
  6 19  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 22  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 24  1  0  0  0
M  END

>  <Chemical Name>
tolazoline

>  <PubChem CID>
5504

>  <Formula>
C10H12N2

>  <Molecular Weight>
160.220000

>  <IUPAC Name>
2-benzyl-4,5-dihydro-1H-imidazole

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN=C(N1)CC2=CC=CC=C2

>  <Isomeric SMILES>
C1CN=C(N1)CC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)

>  <InChI Key>
JIVZKJJQOZQXQB-UHFFFAOYSA-N

