
 CHEMBL59680

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.2359   -0.0697    1.5624 C   0  0  0  0  0
    1.6385    0.3500    0.1600 C   0  0  0  0  0
    2.3433    1.6228    0.1426 N   0  0  0  0  0
    3.7159    1.7632    0.2249 C   0  0  0  0  0
    3.9913    3.1243    0.1056 C   0  0  0  0  0
    5.3362    3.5524    0.1385 C   0  0  0  0  0
    6.3730    2.6252    0.3203 C   0  0  0  0  0
    6.0661    1.2734    0.4462 C   0  0  0  0  0
    4.7401    0.8186    0.3948 C   0  0  0  0  0
    7.6823    3.1461    0.3555 N   0  0  0  0  0
    8.8604    2.4714    0.6339 C   0  0  0  0  0
    8.9749    1.2905    0.9374 O   0  0  0  0  0
   10.0593    3.3930    0.4822 C   0  0  0  0  0
   11.3536    2.7216    0.9442 C   0  0  0  0  0
   12.5239    3.6160    0.8333 N   0  0  0  0  0
   13.7043    3.0263    1.5128 C   0  0  0  0  0
   14.3441    1.8498    0.7530 C   0  0  0  0  0
   14.6976    2.2195   -0.5862 O   0  0  0  0  0
   13.5543    2.7087   -1.2967 C   0  0  0  0  0
   12.9168    3.9026   -0.5666 C   0  0  0  0  0
    2.7455    3.8131   -0.0125 C   0  0  0  0  0
    2.3961    5.1750   -0.1357 C   0  0  0  0  0
    1.0489    5.5414   -0.2017 C   0  0  0  0  0
    0.0525    4.5727   -0.1498 C   0  0  0  0  0
    0.3726    3.2161   -0.0370 C   0  0  0  0  0
    1.7297    2.8569    0.0293 C   0  0  0  0  0
    0.7013   -1.0242    1.5330 H   0  0  0  0  0
    0.5797    0.6739    2.0263 H   0  0  0  0  0
    2.1129   -0.1893    2.2068 H   0  0  0  0  0
    0.7576    0.4414   -0.4844 H   0  0  0  0  0
    2.2850   -0.4054   -0.2992 H   0  0  0  0  0
    5.5455    4.6127    0.0412 H   0  0  0  0  0
    6.8449    0.5279    0.5800 H   0  0  0  0  0
    4.5287   -0.2413    0.4953 H   0  0  0  0  0
    7.7605    4.1427    0.1960 H   0  0  0  0  0
    9.8834    4.3045    1.0665 H   0  0  0  0  0
   10.1133    3.6652   -0.5774 H   0  0  0  0  0
   11.5046    1.7805    0.4040 H   0  0  0  0  0
   11.2197    2.4514    2.0004 H   0  0  0  0  0
   13.4497    2.7230    2.5350 H   0  0  0  0  0
   14.4542    3.8222    1.6111 H   0  0  0  0  0
   15.2645    1.5433    1.2603 H   0  0  0  0  0
   13.6810    0.9777    0.7227 H   0  0  0  0  0
   13.8945    3.0252   -2.2878 H   0  0  0  0  0
   12.8400    1.8910   -1.4433 H   0  0  0  0  0
   13.6533    4.7168   -0.5337 H   0  0  0  0  0
   12.0763    4.2950   -1.1467 H   0  0  0  0  0
    3.1681    5.9379   -0.1692 H   0  0  0  0  0
    0.7811    6.5913   -0.2886 H   0  0  0  0  0
   -0.9915    4.8737   -0.1959 H   0  0  0  0  0
   -0.4162    2.4722    0.0061 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  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
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 46  1  0  0  0
 20 47  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL59680

>  <PubChem CID>
22458813

>  <Formula>
C21H25N3O2

>  <Molecular Weight>
351.450000

>  <IUPAC Name>
N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCN3CCOCC3)C4=CC=CC=C41

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCN3CCOCC3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)

>  <InChI Key>
BATNXUUVRXVQTA-UHFFFAOYSA-N

