
 clomipramine

 45 47  0  0  0  0  0  0  0  0999 V2000
    7.4767    2.6902   -2.6007 C   0  0  0  0  0
    7.2032    3.5659   -1.4589 N   0  0  0  0  0
    5.7925    3.9619   -1.4672 C   0  0  0  0  0
    7.5461    2.9327   -0.1726 C   0  0  0  0  0
    9.0530    2.7079   -0.0053 C   0  0  0  0  0
    9.3871    2.1859    1.3990 C   0  0  0  0  0
   10.8426    1.9152    1.5549 N   0  0  0  0  0
   11.5976    3.1009    1.7181 C   0  0  0  0  0
   11.4651    3.8306    2.9142 C   0  0  0  0  0
   12.1591    5.0232    3.1205 C   0  0  0  0  0
   12.9979    5.5121    2.1270 C   0  0  0  0  0
   13.1474    4.8025    0.9371 C   0  0  0  0  0
   12.4585    3.5946    0.7282 C   0  0  0  0  0
   12.6358    2.8500   -0.5636 C   0  0  0  0  0
   13.2816    1.4944   -0.3222 C   0  0  0  0  0
   12.4235    0.4187    0.3092 C   0  0  0  0  0
   11.3018    0.6425    1.1368 C   0  0  0  0  0
   10.6542   -0.4984    1.6694 C   0  0  0  0  0
   11.0762   -1.7968    1.3848 C   0  0  0  0  0
   12.1701   -2.0090    0.5660 C   0  0  0  0  0
   12.8408   -0.9090    0.0410 C   0  0  0  0  0
   10.2528   -3.1391    2.0791 Cl  0  0  0  0  0
    8.5475    2.4885   -2.7001 H   0  0  0  0  0
    7.1773    3.1747   -3.5373 H   0  0  0  0  0
    6.9457    1.7348   -2.5244 H   0  0  0  0  0
    5.5398    4.4702   -2.4047 H   0  0  0  0  0
    5.5881    4.6768   -0.6625 H   0  0  0  0  0
    5.1220    3.1034   -1.3477 H   0  0  0  0  0
    7.0089    1.9835   -0.0509 H   0  0  0  0  0
    7.2180    3.5923    0.6414 H   0  0  0  0  0
    9.5764    3.6544   -0.1867 H   0  0  0  0  0
    9.4144    1.9867   -0.7465 H   0  0  0  0  0
    8.7853    1.2912    1.5915 H   0  0  0  0  0
    9.0491    2.9126    2.1490 H   0  0  0  0  0
   10.8244    3.4512    3.7065 H   0  0  0  0  0
   12.0448    5.5637    4.0557 H   0  0  0  0  0
   13.5391    6.4420    2.2783 H   0  0  0  0  0
   13.8084    5.1972    0.1689 H   0  0  0  0  0
   13.2850    3.4284   -1.2331 H   0  0  0  0  0
   11.6792    2.7537   -1.0876 H   0  0  0  0  0
   14.1890    1.6078    0.2860 H   0  0  0  0  0
   13.6050    1.1296   -1.3073 H   0  0  0  0  0
    9.8359   -0.3752    2.3744 H   0  0  0  0  0
   12.5173   -3.0143    0.3468 H   0  0  0  0  0
   13.7135   -1.0869   -0.5863 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 17  1  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
clomipramine

>  <PubChem CID>
2801

>  <Formula>
C19H23ClN2

>  <Molecular Weight>
314.857000

>  <IUPAC Name>
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

>  <Isomeric SMILES>
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3

>  <InChI Key>
GDLIGKIOYRNHDA-UHFFFAOYSA-N

