
 Probes1_000120

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.3400   -0.2693   -0.3292 C   0  0  0  0  0
    2.6410   -0.1359    0.4522 C   0  0  0  0  0
    3.0561    1.3216    0.6316 C   0  0  0  0  0
    2.1928    2.1913    0.4829 O   0  0  0  0  0
    4.4080    1.5890    0.9420 N   0  0  0  0  0
    5.4587    0.5322    0.9939 C   0  0  0  0  0
    6.9012    1.0632    1.0396 C   0  0  0  0  0
    7.0923    2.2262    0.0659 C   0  0  0  0  0
    6.1632    3.2974    0.6050 C   0  0  0  0  0
    6.6135    4.6292    0.6849 C   0  0  0  0  0
    5.7747    5.6318    1.1628 C   0  0  0  0  0
    4.4887    5.3094    1.5745 C   0  0  0  0  0
    4.0378    3.9876    1.5071 C   0  0  0  0  0
    4.8590    2.9602    1.0191 C   0  0  0  0  0
    6.9005    1.8290   -1.3516 N   0  0  0  0  0
    6.1849    2.7052   -2.2096 C   0  0  0  0  0
    6.7558    3.9110   -2.6315 C   0  0  0  0  0
    6.0403    4.7605   -3.4753 C   0  0  0  0  0
    4.7629    4.4017   -3.9056 C   0  0  0  0  0
    4.1987    3.1938   -3.4941 C   0  0  0  0  0
    4.9092    2.3429   -2.6473 C   0  0  0  0  0
    7.8406    0.9507   -1.9059 C   0  0  0  0  0
    8.7448    0.4341   -1.2464 O   0  0  0  0  0
    7.6941    0.6094   -3.3726 C   0  0  0  0  0
    5.2897   -0.3873    2.2152 C   0  0  0  0  0
    1.0943   -1.3250   -0.4799 H   0  0  0  0  0
    1.4237    0.2078   -1.3115 H   0  0  0  0  0
    0.5066    0.1996    0.2042 H   0  0  0  0  0
    3.4042   -0.7011   -0.0845 H   0  0  0  0  0
    2.4871   -0.5710    1.4439 H   0  0  0  0  0
    5.3611   -0.0684    0.0826 H   0  0  0  0  0
    7.5939    0.2394    0.8387 H   0  0  0  0  0
    7.1401    1.4056    2.0580 H   0  0  0  0  0
    8.1321    2.5687    0.1609 H   0  0  0  0  0
    7.6188    4.8905    0.3646 H   0  0  0  0  0
    6.1236    6.6595    1.2130 H   0  0  0  0  0
    3.8260    6.0837    1.9542 H   0  0  0  0  0
    3.0354    3.7817    1.8720 H   0  0  0  0  0
    7.7505    4.1968   -2.3027 H   0  0  0  0  0
    6.4748    5.7051   -3.7923 H   0  0  0  0  0
    4.2019    5.0677   -4.5570 H   0  0  0  0  0
    3.1998    2.9205   -3.8245 H   0  0  0  0  0
    4.4576    1.4102   -2.3235 H   0  0  0  0  0
    7.8487    1.4914   -3.9981 H   0  0  0  0  0
    6.7128    0.1668   -3.5614 H   0  0  0  0  0
    8.4539   -0.1307   -3.6442 H   0  0  0  0  0
    5.1947    0.1977    3.1365 H   0  0  0  0  0
    6.1509   -1.0566    2.3231 H   0  0  0  0  0
    4.4126   -1.0301    2.1412 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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
Probes1_000120

>  <PubChem CID>
4271604

>  <Formula>
C21H24N2O2

>  <Molecular Weight>
336.435000

>  <IUPAC Name>
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylacetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C)C

>  <Isomeric SMILES>
CCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C)C

>  <InChI Std. ID>
InChI=1S/C21H24N2O2/c1-4-21(25)22-15(2)14-20(18-12-8-9-13-19(18)22)23(16(3)24)17-10-6-5-7-11-17/h5-13,15,20H,4,14H2,1-3H3

>  <InChI Key>
DRQJSDYVORTCEY-UHFFFAOYSA-N

