null
  CDK     0224162201
null
 23 25  0  0  0  0  0  0  0  0999 V2000
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3264   -4.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0231   -2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5315   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8671   -5.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -5.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4383   -5.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7739   -4.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2890   -4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -2.7050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525   -1.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394   -1.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8372   -1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087   -0.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7933   -0.5812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4064   -1.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2349   -1.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4502   -2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  2  1  0  0  0  0 
  7  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14  9  1  0  0  0  0 
  3 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:31910

> <NAME>
Nifenazone

> <STAR>
2

> <SECONDARY_ID>
CHEBI:94632

> <SYNONYM>
phenicazone; niprazine; nikofezon; nifenazone dihydrochloride; Nifenazone; nifenazon; nicotazone; nicophezon; nicophesone; nicofesone; nicodone; nicazane; niapyrin

> <FORMULA>
C17H16N4O2; C17H16N4O2

> <MASS>
308.335

> <MONOISOTOPIC_MASS>
308.12733

> <CHARGE>
0

> <SMILES>
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3

> <INCHI>
InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)

> <INCHIKEY>
BRZANEXCSZCZCI-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2139-47-1

> <KEGG_DRUG_ACCESSION>
D01437

> <LINCS_ACCESSION>
LSM-5583

$$$$