
 CHEMBL292729

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2688   -0.0697    1.5850 C   0  0  0  0  0
    1.6418    0.3214    0.1658 C   0  0  0  0  0
    2.3706    1.5799    0.1137 N   0  0  0  0  0
    3.7474    1.6925    0.1459 C   0  0  0  0  0
    4.0485    3.0501    0.0468 C   0  0  0  0  0
    5.4049    3.4482    0.0457 C   0  0  0  0  0
    6.4282    2.4918    0.1382 C   0  0  0  0  0
    6.0914    1.1450    0.2449 C   0  0  0  0  0
    4.7547    0.7225    0.2535 C   0  0  0  0  0
    7.7550    2.9730    0.1072 N   0  0  0  0  0
    8.9261    2.2316    0.1502 C   0  0  0  0  0
    9.0137    1.0133    0.2510 O   0  0  0  0  0
   10.1515    3.1238    0.0338 C   0  0  0  0  0
   11.4395    2.2995    0.0626 C   0  0  0  0  0
   12.6462    3.1323   -0.0509 N   0  0  0  0  0
   13.8615    2.3277    0.1148 C   0  0  0  0  0
   14.9403    3.2733   -0.3749 C   0  0  0  0  0
   14.2853    4.0054   -1.5362 C   0  0  0  0  0
   12.7862    3.7864   -1.3569 C   0  0  0  0  0
    2.8120    3.7631   -0.0370 C   0  0  0  0  0
    2.4841    5.1316   -0.1483 C   0  0  0  0  0
    1.1424    5.5204   -0.2099 C   0  0  0  0  0
    0.1298    4.5686   -0.1611 C   0  0  0  0  0
    0.4277    3.2073   -0.0506 C   0  0  0  0  0
    1.7790    2.8249    0.0079 C   0  0  0  0  0
    0.7367   -1.0261    1.5873 H   0  0  0  0  0
    0.6192    0.6821    2.0455 H   0  0  0  0  0
    2.1587   -0.1724    2.2150 H   0  0  0  0  0
    0.7465    0.4199   -0.4570 H   0  0  0  0  0
    2.2613   -0.4532   -0.2974 H   0  0  0  0  0
    5.6349    4.5057   -0.0350 H   0  0  0  0  0
    6.8530    0.3751    0.3246 H   0  0  0  0  0
    4.5247   -0.3349    0.3392 H   0  0  0  0  0
    7.8580    3.9771    0.0289 H   0  0  0  0  0
   10.1428    3.8390    0.8648 H   0  0  0  0  0
   10.0700    3.6817   -0.9061 H   0  0  0  0  0
   11.4181    1.5385   -0.7290 H   0  0  0  0  0
   11.4760    1.7574    1.0170 H   0  0  0  0  0
   13.8408    1.4242   -0.5080 H   0  0  0  0  0
   14.0242    2.0365    1.1571 H   0  0  0  0  0
   15.2079    3.9891    0.4123 H   0  0  0  0  0
   15.8510    2.7476   -0.6779 H   0  0  0  0  0
   14.5504    5.0676   -1.5258 H   0  0  0  0  0
   14.6169    3.5833   -2.4916 H   0  0  0  0  0
   12.2465    4.7385   -1.3802 H   0  0  0  0  0
   12.4117    3.1591   -2.1750 H   0  0  0  0  0
    3.2681    5.8818   -0.1852 H   0  0  0  0  0
    0.8914    6.5745   -0.2955 H   0  0  0  0  0
   -0.9092    4.8861   -0.2091 H   0  0  0  0  0
   -0.3730    2.4759   -0.0108 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 19  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL292729

>  <PubChem CID>
22458796

>  <Formula>
C21H25N3O

>  <Molecular Weight>
335.451000

>  <IUPAC Name>
N-(9-ethylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCN3CCCC3)C4=CC=CC=C41

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCN3CCCC3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C21H25N3O/c1-2-24-19-8-4-3-7-17(19)18-15-16(9-10-20(18)24)22-21(25)11-14-23-12-5-6-13-23/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,25)

>  <InChI Key>
BVLRPFAPSIXVLV-UHFFFAOYSA-N

