
 desipramine

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.3667    3.5345   -0.4404 C   0  0  0  0  0
    4.6864    3.0515   -0.8224 N   0  0  0  0  0
    5.5868    3.0071    0.3299 C   0  0  0  0  0
    6.9541    2.4685   -0.0935 C   0  0  0  0  0
    7.8982    2.3869    1.1150 C   0  0  0  0  0
    9.2287    1.8373    0.7471 N   0  0  0  0  0
   10.2404    2.8273    0.7337 C   0  0  0  0  0
   10.5467    3.5147    1.9257 C   0  0  0  0  0
   11.5129    4.5216    1.9638 C   0  0  0  0  0
   12.1986    4.8607    0.8057 C   0  0  0  0  0
   11.9212    4.1869   -0.3823 C   0  0  0  0  0
   10.9500    3.1693   -0.4237 C   0  0  0  0  0
   10.6751    2.4552   -1.7149 C   0  0  0  0  0
   11.0617    0.9885   -1.5975 C   0  0  0  0  0
   10.1007    0.1011   -0.8368 C   0  0  0  0  0
   10.0799   -1.2543   -1.2515 C   0  0  0  0  0
    9.2485   -2.1941   -0.6525 C   0  0  0  0  0
    8.4349   -1.8031    0.3940 C   0  0  0  0  0
    8.4562   -0.4740    0.8252 C   0  0  0  0  0
    9.2681    0.5200    0.2233 C   0  0  0  0  0
    2.7142    3.5476   -1.3191 H   0  0  0  0  0
    3.4179    4.5571   -0.0529 H   0  0  0  0  0
    2.9036    2.8885    0.3128 H   0  0  0  0  0
    4.6012    2.1189   -1.2278 H   0  0  0  0  0
    5.1669    2.3611    1.1106 H   0  0  0  0  0
    5.7058    4.0132    0.7488 H   0  0  0  0  0
    7.3932    3.1200   -0.8597 H   0  0  0  0  0
    6.8276    1.4811   -0.5529 H   0  0  0  0  0
    7.4472    1.7976    1.9212 H   0  0  0  0  0
    7.9816    3.3992    1.5334 H   0  0  0  0  0
   10.0337    3.2475    2.8462 H   0  0  0  0  0
   11.7287    5.0327    2.8980 H   0  0  0  0  0
   12.9529    5.6426    0.8255 H   0  0  0  0  0
   12.4712    4.4572   -1.2806 H   0  0  0  0  0
   11.2697    2.9088   -2.5180 H   0  0  0  0  0
    9.6250    2.5813   -2.0039 H   0  0  0  0  0
   12.0582    0.8814   -1.1484 H   0  0  0  0  0
   11.1375    0.6070   -2.6251 H   0  0  0  0  0
   10.7252   -1.5822   -2.0651 H   0  0  0  0  0
    9.2490   -3.2246   -0.9953 H   0  0  0  0  0
    7.7952   -2.5263    0.8917 H   0  0  0  0  0
    7.8381   -0.2333    1.6851 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 20  1  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
M  END

>  <Chemical Name>
desipramine

>  <PubChem CID>
2995

>  <Formula>
C18H22N2

>  <Molecular Weight>
266.388000

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

>  <XlogP>
4.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31

>  <Isomeric SMILES>
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3

>  <InChI Key>
HCYAFALTSJYZDH-UHFFFAOYSA-N

