Marvin  04250622142D          

 21 23  0  0  0  0            999 V2000
    0.2532    2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    1.6715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5991    0.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368   -0.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6744   -2.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139   -2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7187   -2.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5351   -1.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    0.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082    1.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227   -0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227    1.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372    0.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372    1.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    1.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3516   -0.0804    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7555    2.1329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -1.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6463   -1.3046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  5 20  2  0  0  0  0
 20  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 19  3  1  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
 14 17  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 16 18  2  0  0  0  0
 19  4  2  0  0  0  0
  9  5  1  0  0  0  0
  4  5  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <ID>
CHEBI:31618

> <NAME>
fludiazepam

> <STAR>
3

> <SYNONYM>
fludiazepam; Erispan; 7-chloro-5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one

> <IUPAC_NAME>
7-chloro-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

> <FORMULA>
C16H12ClFN2O

> <MASS>
302.73046

> <MONOISOTOPIC_MASS>
302.06222

> <CHARGE>
0

> <SMILES>
CN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc12

> <INCHI>
InChI=1S/C16H12ClFN2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3

> <INCHIKEY>
ROYOYTLGDLIGBX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
686115

> <CAS_REGISTRY_NUMBER>
3900-31-0

> <CHEMIDPLUS>
3900-31-0

> <DRUGBANK_ACCESSION>
DB01567

> <KEGG_DRUG_ACCESSION>
D01354

> <NIST_CHEMISTRY_WEBBOOK>
3900-31-0

$$$$