
 CHEMBL1632412

 41 43  0  0  0  0  0  0  0  0999 V2000
    1.7267   -1.2702    1.9585 C   0  0  0  0  0
    2.6185   -0.2245    1.3556 C   0  0  0  0  0
    3.9664   -0.5257    1.0903 C   0  0  0  0  0
    4.7976    0.4488    0.5047 C   0  0  0  0  0
    4.2569    1.6905    0.1933 C   0  0  0  0  0
    2.9181    2.0153    0.4325 C   0  0  0  0  0
    2.1095    1.0337    1.0148 C   0  0  0  0  0
    5.2674    2.4372   -0.3549 N   0  0  0  0  0
    6.4523    1.7351   -0.4166 C   0  0  0  0  0
    6.1667    0.4854    0.1156 C   0  0  0  0  0
    7.7004    2.2798   -0.9516 C   0  0  0  0  0
    7.8453    3.4739   -1.4564 N   0  0  0  0  0
    6.6979    4.2739   -1.4525 O   0  0  0  0  0
    8.9426    1.3623   -0.9430 C   0  0  0  0  0
    8.9376    0.4237   -2.1560 C   0  0  0  0  0
    9.4717    1.0934   -3.4240 C   0  0  0  0  0
   10.7884    1.7162   -3.2612 N   0  0  0  0  0
   10.7768    2.6882   -2.1640 C   0  0  0  0  0
   10.2714    2.1265   -0.8303 C   0  0  0  0  0
   11.8667    0.7408   -3.1341 C   0  0  0  0  0
    0.8058   -0.8286    2.3544 H   0  0  0  0  0
    2.2326   -1.7710    2.7910 H   0  0  0  0  0
    1.4569   -2.0138    1.2025 H   0  0  0  0  0
    4.3700   -1.5040    1.3365 H   0  0  0  0  0
    2.5151    2.9895    0.1764 H   0  0  0  0  0
    1.0629    1.2664    1.2038 H   0  0  0  0  0
    5.1823    3.3899   -0.6840 H   0  0  0  0  0
    6.8639   -0.3358    0.2229 H   0  0  0  0  0
    7.0242    5.0951   -1.8680 H   0  0  0  0  0
    8.8680    0.7490   -0.0364 H   0  0  0  0  0
    7.9278    0.0467   -2.3553 H   0  0  0  0  0
    9.5508   -0.4564   -1.9249 H   0  0  0  0  0
    9.5042    0.3590   -4.2386 H   0  0  0  0  0
    8.7598    1.8599   -3.7560 H   0  0  0  0  0
   11.7812    3.1076   -2.0229 H   0  0  0  0  0
   10.1611    3.5418   -2.4692 H   0  0  0  0  0
   11.0307    1.4436   -0.4275 H   0  0  0  0  0
   10.1824    2.9437   -0.1040 H   0  0  0  0  0
   12.8374    1.2487   -3.1064 H   0  0  0  0  0
   11.8890    0.0799   -4.0078 H   0  0  0  0  0
   11.7858    0.1179   -2.2381 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 28  1  0  0  0
 11 14  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 29  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1632412

>  <PubChem CID>
136141537

>  <Formula>
C16H21N3O

>  <Molecular Weight>
271.364000

>  <IUPAC Name>
(NZ)-N-[(5-methyl-1H-indol-2-yl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC2=C(C=C1)NC(=C2)C(=NO)C3CCN(CC3)C

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)NC(=C2)/C(=N\O)/C3CCN(CC3)C

>  <InChI Std. ID>
InChI=1S/C16H21N3O/c1-11-3-4-14-13(9-11)10-15(17-14)16(18-20)12-5-7-19(2)8-6-12/h3-4,9-10,12,17,20H,5-8H2,1-2H3/b18-16-

>  <InChI Key>
VOIJIMTXMUBFDD-VLGSPTGOSA-N

