Marvin  01111016052D          

 22 25  0  0  0  0            999 V2000
   13.8188  -13.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3238  -12.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300  -11.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2725  -11.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6438  -13.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9738  -11.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1388  -12.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9113  -11.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1275  -11.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9213  -12.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5400  -12.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9225  -12.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5413  -12.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3763  -11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5925  -11.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2725  -10.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9738  -10.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9738   -9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2725   -8.8275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300   -9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300  -10.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2725   -8.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  2  3  1  0  0  0  0
  5  7  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  2 11  2  0  0  0  0
  7 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  6 15  2  0  0  0  0
  4 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <ID>
CHEBI:2946

> <NAME>
azatadine

> <DEFINITION>
A benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position.

> <STAR>
3

> <SYNONYM>
6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine; 11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

> <IUPAC_NAME>
11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine

> <INN>
azatadinum; azatadine; azatadina

> <FORMULA>
C20H22N2

> <MASS>
290.40210

> <MONOISOTOPIC_MASS>
290.17830

> <CHARGE>
0

> <SMILES>
CN1CCC(CC1)=C1c2ccccc2CCc2cccnc12

> <INCHI>
InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3

> <INCHIKEY>
SEBMTIQKRHYNIT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
889600

> <CAS_REGISTRY_NUMBER>
3964-81-6

> <CHEMIDPLUS>
3964-81-6

> <DRUGBANK_ACCESSION>
DB00719

> <KEGG_COMPOUND_ACCESSION>
C07774

> <KEGG_DRUG_ACCESSION>
D07482

> <NIST_CHEMISTRY_WEBBOOK>
3964-81-6

> <WIKIPEDIA_ACCESSION>
Azatadine

$$$$