ISISHOST03240423282D 1   1.00000     0.00000 12316

 21 24  0     0  0            999 V2000
   14.2491  -13.7611    0.0000 C   0  0  0  0  0  0           0  0  0
   13.5246  -14.1749    0.0000 C   0  0  0  0  0  0           0  0  0
   13.5221  -15.0097    0.0000 C   0  0  0  0  0  0           0  0  0
   14.2420  -15.4271    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7578  -15.2623    0.0000 N   0  0  3  0  0  0           0  0  0
   14.9788  -14.1948    0.0000 C   0  0  0  0  0  0           0  0  0
   14.9831  -15.0122    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7546  -13.9400    0.0000 N   0  0  3  0  0  0           0  0  0
   16.2362  -14.5956    0.0000 C   0  0  0  0  0  0           0  0  0
   17.0077  -14.3374    0.0000 N   0  0  0  0  0  0           0  0  0
   17.0017  -13.5248    0.0000 C   0  0  0  0  0  0           0  0  0
   16.2268  -13.2818    0.0000 C   0  0  0  0  0  0           0  0  0
   17.6667  -13.0333    0.0000 C   0  0  0  0  0  0           0  0  0
   18.4311  -13.3675    0.0000 C   0  0  0  0  0  0           0  0  0
   19.1034  -12.8736    0.0000 C   0  0  0  0  0  0           0  0  0
   19.0112  -12.0455    0.0000 C   0  0  0  0  0  0           0  0  0
   18.2468  -11.7112    0.0000 C   0  0  0  0  0  0           0  0  0
   17.5745  -12.2051    0.0000 C   0  0  0  0  0  0           0  0  0
   16.0158  -16.0543    0.0000 C   0  0  0  0  0  0           0  0  0
   15.4620  -16.6737    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7241  -17.4657    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12  8  1  0     0  0
  2  3  1  0     0  0
  5  9  1  0     0  0
  8  6  1  0     0  0
  6  7  2  0     0  0
  7  5  1  0     0  0
  3  4  2  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 13  1  0     0  0
 11 13  1  0     0  0
  4  7  1  0     0  0
  5 19  1  0     0  0
  6  1  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
M  END
> <ID>
CHEBI:2307

> <NAME>
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene

> <STAR>
2

> <SYNONYM>
8-Allyl-2-phenyl-8H-1,3a,8-triaza-cyclopenta[a]indene

> <FORMULA>
C18H15N3

> <MASS>
273.332

> <MONOISOTOPIC_MASS>
273.12660

> <CHARGE>
0

> <SMILES>
C=CCn1c2ccccc2n2cc(nc12)-c1ccccc1

> <INCHI>
InChI=1S/C18H15N3/c1-2-12-20-16-10-6-7-11-17(16)21-13-15(19-18(20)21)14-8-4-3-5-9-14/h2-11,13H,1,12H2

> <INCHIKEY>
SSXFTSIOKPEQLA-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C11565

$$$$