
 BRN 0418992

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.8671   -0.7087   -0.2133 C   0  0  0  0  0
    2.3059   -0.5609   -0.2527 N   0  0  0  0  0
    2.9748    0.6290   -0.3783 C   0  0  0  0  0
    4.3280    0.3582   -0.4426 C   0  0  0  0  0
    4.4944   -1.0430   -0.2841 C   0  0  0  0  0
    5.6196   -1.8909   -0.2141 C   0  0  0  0  0
    5.4425   -3.2606   -0.0028 C   0  0  0  0  0
    4.1649   -3.7929    0.1335 C   0  0  0  0  0
    3.0317   -2.9761    0.0606 C   0  0  0  0  0
    3.2160   -1.5988   -0.1473 C   0  0  0  0  0
    5.3116    1.4199   -0.6005 C   0  0  0  0  0
    6.4827    1.1759   -0.8877 O   0  0  0  0  0
    4.7951    2.8615   -0.4705 C   0  0  0  0  0
    3.3917    2.9790    0.1758 C   0  0  0  0  0
    2.3777    1.9920   -0.4245 C   0  0  0  0  0
    5.8418    3.7710    0.2137 C   0  0  0  0  0
    5.8720    3.7614    1.6919 N   0  0  0  0  0
    6.3111    2.4882    2.2882 C   0  0  0  0  0
    7.7985    2.1834    2.0982 C   0  0  0  0  0
    8.6632    3.3261    2.6167 C   0  0  0  0  0
    8.2042    4.6628    2.0429 C   0  0  0  0  0
    6.6960    4.8634    2.2235 C   0  0  0  0  0
    0.5879   -1.7088   -0.5510 H   0  0  0  0  0
    0.4139    0.0252   -0.8846 H   0  0  0  0  0
    0.5368   -0.5449    0.8150 H   0  0  0  0  0
    6.6204   -1.4779   -0.3125 H   0  0  0  0  0
    6.3123   -3.9095    0.0598 H   0  0  0  0  0
    4.0448   -4.8607    0.3009 H   0  0  0  0  0
    2.0429   -3.4079    0.1738 H   0  0  0  0  0
    4.6954    3.2067   -1.5107 H   0  0  0  0  0
    3.4554    2.7838    1.2538 H   0  0  0  0  0
    3.0151    4.0024    0.0601 H   0  0  0  0  0
    1.4434    2.0417    0.1442 H   0  0  0  0  0
    2.1573    2.2622   -1.4635 H   0  0  0  0  0
    5.5841    4.7935   -0.0960 H   0  0  0  0  0
    6.8362    3.5795   -0.2048 H   0  0  0  0  0
    5.7056    1.6518    1.9302 H   0  0  0  0  0
    6.1007    2.5308    3.3658 H   0  0  0  0  0
    8.0545    1.2594    2.6295 H   0  0  0  0  0
    8.0240    2.0083    1.0412 H   0  0  0  0  0
    8.6004    3.3598    3.7113 H   0  0  0  0  0
    9.7138    3.1476    2.3619 H   0  0  0  0  0
    8.7442    5.4766    2.5404 H   0  0  0  0  0
    8.4673    4.7163    0.9800 H   0  0  0  0  0
    6.4793    4.9673    3.2951 H   0  0  0  0  0
    6.3926    5.8170    1.7747 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 10  1  0  0  0
  2  3  1  0  0  0
  3 15  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
BRN 0418992

>  <PubChem CID>
38187

>  <Formula>
C19H24N2O

>  <Molecular Weight>
296.414000

>  <IUPAC Name>
9-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydro-1H-carbazol-4-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN4CCCCC4

>  <Isomeric SMILES>
CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN4CCCCC4

>  <InChI Std. ID>
InChI=1S/C19H24N2O/c1-20-16-8-4-3-7-15(16)18-17(20)10-9-14(19(18)22)13-21-11-5-2-6-12-21/h3-4,7-8,14H,2,5-6,9-13H2,1H3

>  <InChI Key>
BAFLVTLGUUJFPM-UHFFFAOYSA-N

