
 CHEMBL324028

 50 54  0  0  0  0  0  0  0  0999 V2000
    2.1654    0.3204    0.7485 C   0  0  0  0  0
    1.6524   -0.3725    1.9900 C   0  0  0  0  0
    0.2196   -0.3014    1.9452 O   0  0  0  0  0
   -0.1810    0.0494    0.6081 C   0  0  0  0  0
    1.0658    0.0616   -0.2651 C   0  0  0  0  0
    1.3526   -1.1035   -1.1011 N   0  0  0  0  0
    1.0493   -2.4363   -0.8672 C   0  0  0  0  0
    1.6201   -3.1794   -1.9064 C   0  0  0  0  0
    1.4988   -4.5919   -1.8999 C   0  0  0  0  0
    0.8434   -5.2445   -0.8480 C   0  0  0  0  0
    0.2492   -4.4839    0.1497 C   0  0  0  0  0
    0.3436   -3.0875    0.1594 C   0  0  0  0  0
    0.8201   -6.6570   -0.8577 N   0  0  0  0  0
    0.5919   -7.4694    0.2329 C   0  0  0  0  0
    0.4964   -7.0749    1.3922 O   0  0  0  0  0
    0.5333   -8.8299   -0.0712 N   0  0  0  0  0
   -0.0011   -9.3484   -1.3363 C   0  0  0  0  0
    0.4524  -10.7917   -1.5819 C   0  0  0  0  0
    0.1323  -11.6364   -0.4690 O   0  0  0  0  0
    0.7813  -11.1640    0.7205 C   0  0  0  0  0
    0.3408   -9.7401    1.0617 C   0  0  0  0  0
    2.2717   -2.2690   -2.7904 C   0  0  0  0  0
    3.0147   -2.4321   -3.9795 C   0  0  0  0  0
    3.5753   -1.3171   -4.6113 C   0  0  0  0  0
    3.4065   -0.0485   -4.0724 C   0  0  0  0  0
    2.6732    0.1395   -2.8972 C   0  0  0  0  0
    2.1058   -0.9859   -2.2690 C   0  0  0  0  0
    2.2282    1.3984    0.9415 H   0  0  0  0  0
    3.1609   -0.0258    0.4563 H   0  0  0  0  0
    2.0122    0.0979    2.9090 H   0  0  0  0  0
    1.9446   -1.4277    2.0113 H   0  0  0  0  0
   -0.9814   -0.6083    0.2610 H   0  0  0  0  0
   -0.6010    1.0597    0.6747 H   0  0  0  0  0
    0.9628    0.9017   -0.9614 H   0  0  0  0  0
    1.9618   -5.1572   -2.7012 H   0  0  0  0  0
   -0.3032   -4.9522    0.9601 H   0  0  0  0  0
   -0.1196   -2.5559    0.9821 H   0  0  0  0  0
    1.3038   -7.0992   -1.6220 H   0  0  0  0  0
    0.2818   -8.7208   -2.1844 H   0  0  0  0  0
   -1.0937   -9.3108   -1.2476 H   0  0  0  0  0
   -0.0521  -11.1967   -2.4646 H   0  0  0  0  0
    1.5331  -10.8367   -1.7632 H   0  0  0  0  0
    0.5206  -11.8431    1.5391 H   0  0  0  0  0
    1.8678  -11.2150    0.5770 H   0  0  0  0  0
   -0.7289   -9.7235    1.3048 H   0  0  0  0  0
    0.8943   -9.3827    1.9373 H   0  0  0  0  0
    3.1613   -3.4220   -4.4015 H   0  0  0  0  0
    4.1515   -1.4478   -5.5227 H   0  0  0  0  0
    3.8532    0.8106   -4.5682 H   0  0  0  0  0
    2.5628    1.1399   -2.4910 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324028

>  <PubChem CID>
44344629

>  <Formula>
C21H23N3O3

>  <Molecular Weight>
365.433000

>  <IUPAC Name>
N-[9-(oxolan-3-yl)carbazol-3-yl]morpholine-4-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COCC1N2C3=C(C=C(C=C3)NC(=O)N4CCOCC4)C5=CC=CC=C52

>  <Isomeric SMILES>
C1COCC1N2C3=C(C=C(C=C3)NC(=O)N4CCOCC4)C5=CC=CC=C52

>  <InChI Std. ID>
InChI=1S/C21H23N3O3/c25-21(23-8-11-26-12-9-23)22-15-5-6-20-18(13-15)17-3-1-2-4-19(17)24(20)16-7-10-27-14-16/h1-6,13,16H,7-12,14H2,(H,22,25)

>  <InChI Key>
ABHPYCROGZZOEB-UHFFFAOYSA-N

