
 JNJ-7777120

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.9153   -0.7207    0.3125 C   0  0  0  0  0
    2.2855   -0.2201    0.2297 N   0  0  0  0  0
    3.1912   -1.2009   -0.4039 C   0  0  0  0  0
    3.0384   -1.3448   -1.9306 C   0  0  0  0  0
    3.0576   -0.0530   -2.6216 N   0  0  0  0  0
    2.1664    0.9494   -2.0254 C   0  0  0  0  0
    2.3600    1.0608   -0.5007 C   0  0  0  0  0
    3.3301   -0.0882   -3.9924 C   0  0  0  0  0
    3.4511   -1.1585   -4.5892 O   0  0  0  0  0
    3.4760    1.1591   -4.7161 C   0  0  0  0  0
    3.8963    2.4237   -4.3384 C   0  0  0  0  0
    3.8372    3.2780   -5.4748 C   0  0  0  0  0
    3.4458    2.4923   -6.5557 C   0  0  0  0  0
    3.2773    1.2145   -6.0799 N   0  0  0  0  0
    3.2963    3.0023   -7.8507 C   0  0  0  0  0
    3.5439    4.3659   -8.0380 C   0  0  0  0  0
    3.9323    5.1726   -6.9705 C   0  0  0  0  0
    4.0902    4.6471   -5.6840 C   0  0  0  0  0
    4.2228    6.8499   -7.2380 Cl  0  0  0  0  0
    0.2748    0.0079    0.8222 H   0  0  0  0  0
    0.8809   -1.6367    0.9127 H   0  0  0  0  0
    0.4721   -0.9380   -0.6645 H   0  0  0  0  0
    3.0821   -2.1826    0.0733 H   0  0  0  0  0
    4.2202   -0.8820   -0.1912 H   0  0  0  0  0
    3.8492   -1.9757   -2.3130 H   0  0  0  0  0
    2.0929   -1.8417   -2.1806 H   0  0  0  0  0
    2.2975    1.9336   -2.4723 H   0  0  0  0  0
    1.1393    0.6458   -2.2624 H   0  0  0  0  0
    3.3505    1.4948   -0.3095 H   0  0  0  0  0
    1.6383    1.7751   -0.0863 H   0  0  0  0  0
    4.2099    2.7142   -3.3447 H   0  0  0  0  0
    3.0271    0.4091   -6.6390 H   0  0  0  0  0
    2.9991    2.3697   -8.6812 H   0  0  0  0  0
    3.4320    4.7934   -9.0315 H   0  0  0  0  0
    4.3965    5.2829   -4.8592 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 18  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 35  1  0  0  0
M  END

>  <Chemical Name>
JNJ-7777120

>  <PubChem CID>
4908365

>  <Formula>
C14H16ClN3O

>  <Molecular Weight>
277.752000

>  <IUPAC Name>
(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

>  <Isomeric SMILES>
CN1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

>  <InChI Std. ID>
InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3

>  <InChI Key>
HUQJRYMLJBBEDO-UHFFFAOYSA-N

