Marvin  11190810382D          

 19 20  0  0  0  0            999 V2000
   -1.7679    1.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    1.1683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688   -0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161    0.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    0.5008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -1.1491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823   -1.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4823   -2.3866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0534   -4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1968   -2.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1968   -3.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9113   -4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  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
  5  8  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:8888

> <NAME>
ropinirole

> <STAR>
3

> <SYNONYM>
Ropinirole

> <IUPAC_NAME>
4-[2-(dipropylamino)ethyl]-1,3-dihydro-2H-indol-2-one

> <INN>
ropinirolum; ropinirole; ropinirole; ropinirol

> <FORMULA>
C16H24N2O

> <MASS>
260.37464

> <MONOISOTOPIC_MASS>
260.18886

> <CHARGE>
0

> <SMILES>
CCCN(CCC)CCc1cccc2NC(=O)Cc12

> <INCHI>
InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)

> <INCHIKEY>
UHSKFQJFRQCDBE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6062222

> <CAS_REGISTRY_NUMBER>
91374-21-9

> <CHEMIDPLUS>
91374-21-9

> <DRUGBANK_ACCESSION>
DB00268

> <KEGG_COMPOUND_ACCESSION>
C07564

> <KEGG_DRUG_ACCESSION>
D08489

> <LINCS_ACCESSION>
LSM-2351

> <WIKIPEDIA_ACCESSION>
Ropinirole

$$$$