
 AC1L5523

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.3412   -0.0148   -2.1894 C   0  0  0  0  0
    3.2784   -0.1013   -1.0649 N   0  0  0  0  0
    4.1373   -1.2764   -1.2355 C   0  0  0  0  0
    4.0621    1.1475   -0.9750 C   0  0  0  0  0
    4.9650    1.2250    0.2698 C   0  0  0  0  0
    5.6369    2.5734    0.3784 C   0  0  0  0  0
    6.9503    2.8671    0.2516 C   0  0  0  0  0
    7.3491    4.2886    0.2961 C   0  0  0  0  0
    7.0797    5.0741    1.4283 C   0  0  0  0  0
    7.4658    6.4156    1.4706 C   0  0  0  0  0
    8.1247    6.9868    0.3842 C   0  0  0  0  0
    8.4030    6.2156   -0.7448 C   0  0  0  0  0
    8.0326    4.8641   -0.7819 C   0  0  0  0  0
    8.3108    4.1279   -2.0313 C   0  0  0  0  0
    8.5857    2.8742   -2.2320 N   0  0  0  0  0
    8.7432    1.9220   -1.2117 C   0  0  0  0  0
    7.9703    1.8410   -0.0386 C   0  0  0  0  0
    8.2326    0.8342    0.9076 C   0  0  0  0  0
    9.2172   -0.1191    0.6639 C   0  0  0  0  0
    9.9624   -0.0732   -0.5076 C   0  0  0  0  0
    9.7228    0.9430   -1.4349 C   0  0  0  0  0
    9.5118   -1.3594    1.8186 Cl  0  0  0  0  0
    1.6515    0.8258   -2.0536 H   0  0  0  0  0
    1.7230   -0.9180   -2.2472 H   0  0  0  0  0
    2.8571    0.1119   -3.1484 H   0  0  0  0  0
    3.5323   -2.1797   -1.3759 H   0  0  0  0  0
    4.7394   -1.4594   -0.3401 H   0  0  0  0  0
    4.8084   -1.1772   -2.0961 H   0  0  0  0  0
    3.3612    1.9924   -0.9303 H   0  0  0  0  0
    4.6682    1.2881   -1.8803 H   0  0  0  0  0
    5.6991    0.4179    0.2418 H   0  0  0  0  0
    4.3641    1.0707    1.1747 H   0  0  0  0  0
    4.9328    3.3890    0.5481 H   0  0  0  0  0
    6.5721    4.6415    2.2880 H   0  0  0  0  0
    7.2523    7.0133    2.3537 H   0  0  0  0  0
    8.4230    8.0320    0.4176 H   0  0  0  0  0
    8.9192    6.6730   -1.5858 H   0  0  0  0  0
    8.2965    4.7544   -2.9410 H   0  0  0  0  0
    7.6641    0.7973    1.8336 H   0  0  0  0  0
   10.7298   -0.8156   -0.7073 H   0  0  0  0  0
   10.3071    0.9808   -2.3518 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  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  2  0  0  0
  8 13  1  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  2  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 39  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
AC1L5523

>  <PubChem CID>
170154

>  <Formula>
C19H19ClN2

>  <Molecular Weight>
310.825000

>  <IUPAC Name>
3-(2-chlorobenzo[c][1]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine

>  <XlogP>
4.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN(C)CCC=C1C2=CC=CC=C2C=NC3=C1C=C(C=C3)Cl

>  <Isomeric SMILES>
CN(C)CCC=C1C2=CC=CC=C2C=NC3=C1C=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H19ClN2/c1-22(2)11-5-8-17-16-7-4-3-6-14(16)13-21-19-10-9-15(20)12-18(17)19/h3-4,6-10,12-13H,5,11H2,1-2H3

>  <InChI Key>
KGRYJYZBJQLPFW-UHFFFAOYSA-N

