null
  CDK     0225161910
null
 27 30  0  0  0  0  0  0  0  0999 V2000
    2.7512   -0.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -1.4223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -1.9072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781   -2.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -2.6919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982   -1.9072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631   -3.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836   -3.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6685   -3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329   -4.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5124   -4.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -4.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -4.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -4.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564   -5.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510   -5.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7154   -5.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950   -5.8790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7456   -4.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5661   -4.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5594   -6.6327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9719   -7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4199   -7.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338   -7.6247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -6.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  3  1  0  0  0  0 
  5  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13  8  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 17  1  0  0  0  0 
 19 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:123186

> <NAME>
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-3-(1-tetrazolyl)benzamide

> <STAR>
2

> <FORMULA>
C17H15N9O

> <MASS>
361.361

> <MONOISOTOPIC_MASS>
361.13996

> <CHARGE>
0

> <SMILES>
CCN1N=C(N=N1)C2=CC=CC=C2NC(=O)C3=CC(=CC=C3)N4C=NN=N4

> <INCHI>
InChI=1S/C17H15N9O/c1-2-26-21-16(20-23-26)14-8-3-4-9-15(14)19-17(27)12-6-5-7-13(10-12)25-11-18-22-24-25/h3-11H,2H2,1H3,(H,19,27)

> <INCHIKEY>
JMWGMTCVVLATBC-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-34628

$$$$