
 imipramine

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.5769    4.0709   -1.7688 C   0  0  0  0  0
    3.0318    4.1693   -1.9162 N   0  0  0  0  0
    3.4157    5.5722   -2.0903 C   0  0  0  0  0
    3.6969    3.5448   -0.7578 C   0  0  0  0  0
    5.2238    3.4843   -0.8829 C   0  0  0  0  0
    5.8389    2.7277    0.3056 C   0  0  0  0  0
    7.3153    2.6869    0.2163 N   0  0  0  0  0
    7.9662    3.9389    0.2282 C   0  0  0  0  0
    7.7565    4.8519    1.2751 C   0  0  0  0  0
    8.3810    6.1006    1.2821 C   0  0  0  0  0
    9.2258    6.4582    0.2369 C   0  0  0  0  0
    9.4458    5.5673   -0.8116 C   0  0  0  0  0
    8.8210    4.3101   -0.8208 C   0  0  0  0  0
    9.0308    3.3596   -1.9665 C   0  0  0  0  0
    9.7924    2.1177   -1.5207 C   0  0  0  0  0
    9.1004    1.1467   -0.5842 C   0  0  0  0  0
    9.6992   -0.1341   -0.5014 C   0  0  0  0  0
    9.1899   -1.1299    0.3262 C   0  0  0  0  0
    8.0770   -0.8609    1.1033 C   0  0  0  0  0
    7.4772    0.3986    1.0376 C   0  0  0  0  0
    7.9545    1.4275    0.1918 C   0  0  0  0  0
    1.2655    3.0227   -1.7032 H   0  0  0  0  0
    1.0705    4.4914   -2.6447 H   0  0  0  0  0
    1.2166    4.5961   -0.8768 H   0  0  0  0  0
    2.8503    6.0288   -2.9107 H   0  0  0  0  0
    4.4694    5.6622   -2.3717 H   0  0  0  0  0
    3.2414    6.1634   -1.1844 H   0  0  0  0  0
    3.3288    2.5147   -0.6612 H   0  0  0  0  0
    3.4255    4.0689    0.1684 H   0  0  0  0  0
    5.6307    4.4991   -0.9252 H   0  0  0  0  0
    5.5037    2.9842   -1.8185 H   0  0  0  0  0
    5.4073    1.7194    0.2895 H   0  0  0  0  0
    5.5243    3.1764    1.2556 H   0  0  0  0  0
    7.1209    4.5818    2.1135 H   0  0  0  0  0
    8.2118    6.7874    2.1066 H   0  0  0  0  0
    9.7153    7.4283    0.2392 H   0  0  0  0  0
   10.1059    5.8584   -1.6251 H   0  0  0  0  0
    9.6060    3.8582   -2.7569 H   0  0  0  0  0
    8.0657    3.0971   -2.4173 H   0  0  0  0  0
   10.7390    2.4171   -1.0509 H   0  0  0  0  0
   10.0513    1.5670   -2.4356 H   0  0  0  0  0
   10.5846   -0.3557   -1.0954 H   0  0  0  0  0
    9.6710   -2.1025    0.3717 H   0  0  0  0  0
    7.6819   -1.6172    1.7751 H   0  0  0  0  0
    6.6413    0.5868    1.7069 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 21  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 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
M  END

>  <Chemical Name>
imipramine

>  <PubChem CID>
3696

>  <Formula>
C19H24N2

>  <Molecular Weight>
280.415000

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

>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

>  <Isomeric SMILES>
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

>  <InChI Std. ID>
InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3

>  <InChI Key>
BCGWQEUPMDMJNV-UHFFFAOYSA-N

