
 CHEMBL1632411

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.0344    0.0410   -1.0139 C   0  0  0  0  0
    1.2448    0.2051   -0.3352 N   0  0  0  0  0
    2.0654   -1.0068   -0.3464 C   0  0  0  0  0
    2.6221   -1.3545   -1.7236 C   0  0  0  0  0
    3.4385   -0.2074   -2.3310 C   0  0  0  0  0
    2.7502    1.1535   -2.1494 C   0  0  0  0  0
    1.9979    1.3606   -0.8249 C   0  0  0  0  0
    4.9300   -0.3625   -1.9613 C   0  0  0  0  0
    5.5963    0.2177   -1.0016 N   0  0  0  0  0
    4.8587    1.1284   -0.2682 O   0  0  0  0  0
    5.7216   -1.3398   -2.7050 C   0  0  0  0  0
    5.5484   -1.9304   -3.9460 C   0  0  0  0  0
    6.6383   -2.8193   -4.1803 C   0  0  0  0  0
    7.0089   -3.6609   -5.2472 C   0  0  0  0  0
    8.1714   -4.4342   -5.1368 C   0  0  0  0  0
    8.9556   -4.3813   -3.9863 C   0  0  0  0  0
    8.6118   -3.5464   -2.9195 C   0  0  0  0  0
    7.4529   -2.7738   -3.0525 C   0  0  0  0  0
    6.8932   -1.8615   -2.1947 N   0  0  0  0  0
   -0.6640    0.9240   -0.8515 H   0  0  0  0  0
   -0.5855   -0.8092   -0.5953 H   0  0  0  0  0
    0.0646   -0.1094   -2.0935 H   0  0  0  0  0
    1.4830   -1.8541    0.0367 H   0  0  0  0  0
    2.8954   -0.8829    0.3611 H   0  0  0  0  0
    3.2211   -2.2694   -1.6434 H   0  0  0  0  0
    1.7940   -1.6001   -2.4010 H   0  0  0  0  0
    3.4220   -0.3650   -3.4197 H   0  0  0  0  0
    3.4636    1.9717   -2.3030 H   0  0  0  0  0
    2.0081    1.2531   -2.9541 H   0  0  0  0  0
    2.6856    1.6622   -0.0318 H   0  0  0  0  0
    1.3314    2.2273   -0.9299 H   0  0  0  0  0
    5.5116    1.4743    0.3689 H   0  0  0  0  0
    4.7375   -1.7423   -4.6365 H   0  0  0  0  0
    6.4040   -3.7104   -6.1471 H   0  0  0  0  0
    8.4636   -5.0837   -5.9585 H   0  0  0  0  0
    9.8515   -4.9939   -3.9172 H   0  0  0  0  0
    9.2259   -3.5011   -2.0260 H   0  0  0  0  0
    7.2697   -1.5953   -1.2949 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
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 11  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 32  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 19 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1632411

>  <PubChem CID>
136192886

>  <Formula>
C15H19N3O

>  <Molecular Weight>
257.337000

>  <IUPAC Name>
(NZ)-N-[1H-indol-2-yl-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC(CC1)C(=NO)C2=CC3=CC=CC=C3N2

>  <Isomeric SMILES>
CN1CCC(CC1)/C(=N/O)/C2=CC3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C15H19N3O/c1-18-8-6-11(7-9-18)15(17-19)14-10-12-4-2-3-5-13(12)16-14/h2-5,10-11,16,19H,6-9H2,1H3/b17-15-

>  <InChI Key>
MQAUVLYNYCPXHD-ICFOKQHNSA-N

