
 naphazoline

 30 32  0  0  0  0  0  0  0  0999 V2000
   -0.9161    0.7480   -2.8419 C   0  0  0  0  0
   -1.7256    0.0243   -1.7610 C   0  0  0  0  0
   -1.2248    0.5267   -0.4510 N   0  0  0  0  0
   -0.1271    1.1738   -0.7550 C   0  0  0  0  0
    0.2296    1.1931   -2.0831 N   0  0  0  0  0
    0.6889    1.8744    0.3087 C   0  0  0  0  0
    0.9689    3.3312   -0.0117 C   0  0  0  0  0
    2.3029    3.7082   -0.2505 C   0  0  0  0  0
    2.6272    5.0256   -0.5535 C   0  0  0  0  0
    1.6231    5.9869   -0.6299 C   0  0  0  0  0
    0.2830    5.6479   -0.3981 C   0  0  0  0  0
   -0.7147    6.6342   -0.4822 C   0  0  0  0  0
   -2.0530    6.3239   -0.2516 C   0  0  0  0  0
   -2.4101    5.0234    0.0751 C   0  0  0  0  0
   -1.4289    4.0331    0.1671 C   0  0  0  0  0
   -0.0637    4.3108   -0.0757 C   0  0  0  0  0
   -0.6392    0.0877   -3.6678 H   0  0  0  0  0
   -1.4692    1.6091   -3.2325 H   0  0  0  0  0
   -1.5709   -1.0588   -1.8082 H   0  0  0  0  0
   -2.7963    0.2288   -1.8650 H   0  0  0  0  0
    0.7018    2.0318   -2.4069 H   0  0  0  0  0
    1.6275    1.3152    0.4083 H   0  0  0  0  0
    0.1832    1.8029    1.2785 H   0  0  0  0  0
    3.1024    2.9722   -0.1950 H   0  0  0  0  0
    3.6632    5.3072   -0.7279 H   0  0  0  0  0
    1.8987    7.0129   -0.8672 H   0  0  0  0  0
   -0.4533    7.6609   -0.7288 H   0  0  0  0  0
   -2.8129    7.0973   -0.3211 H   0  0  0  0  0
   -3.4508    4.7715    0.2642 H   0  0  0  0  0
   -1.7560    3.0320    0.4392 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
naphazoline

>  <PubChem CID>
4436

>  <Formula>
C14H14N2

>  <Molecular Weight>
210.280000

>  <IUPAC Name>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32

>  <Isomeric SMILES>
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)

>  <InChI Key>
CNIIGCLFLJGOGP-UHFFFAOYSA-N

