
 TC-MCH 7c

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.0145   -3.3484    2.8507 C   0  0  0  0  0
    0.8041   -4.0010    1.4898 C   0  0  0  0  0
    1.8327   -3.3522    0.5774 C   0  0  0  0  0
    2.0262   -2.0342    1.1870 N   0  0  0  0  0
    2.0939   -2.2992    2.6278 C   0  0  0  0  0
    3.2319   -1.3461    0.7078 C   0  0  0  0  0
    3.1466   -0.9174   -0.7679 C   0  0  0  0  0
    4.3387   -0.2410   -1.1822 O   0  0  0  0  0
    5.4331   -0.9895   -1.5096 C   0  0  0  0  0
    6.5887   -0.2521   -1.7536 C   0  0  0  0  0
    7.7959   -0.8908   -2.0640 C   0  0  0  0  0
    7.8850   -2.2914   -2.1395 C   0  0  0  0  0
    6.7049   -3.0149   -1.9188 C   0  0  0  0  0
    5.4936   -2.3750   -1.6081 C   0  0  0  0  0
    9.1541   -2.9375   -2.4091 N   0  0  0  0  0
   10.1503   -2.2673   -3.1256 C   0  0  0  0  0
   11.3762   -2.7695   -3.2985 C   0  0  0  0  0
   11.7177   -4.0316   -2.7059 C   0  0  0  0  0
   10.7806   -4.7777   -2.1161 C   0  0  0  0  0
    9.4064   -4.2411   -1.9123 C   0  0  0  0  0
    8.6346   -4.9536   -1.2716 O   0  0  0  0  0
   13.0189   -4.4617   -2.8388 O   0  0  0  0  0
   13.9263   -3.7578   -1.9764 C   0  0  0  0  0
   13.9981   -4.3896   -0.6045 C   0  0  0  0  0
   14.9048   -5.4305   -0.3490 C   0  0  0  0  0
   14.9644   -6.0194    0.9153 C   0  0  0  0  0
   14.1099   -5.5794    1.9189 C   0  0  0  0  0
   13.1965   -4.5593    1.6837 C   0  0  0  0  0
   13.1421   -3.9614    0.4242 C   0  0  0  0  0
   14.1666   -6.1487    3.1301 F   0  0  0  0  0
    0.0807   -2.8868    3.1917 H   0  0  0  0  0
    1.3222   -4.0808    3.6041 H   0  0  0  0  0
   -0.2126   -3.7940    1.1340 H   0  0  0  0  0
    0.9294   -5.0877    1.5333 H   0  0  0  0  0
    2.7588   -3.9408    0.5812 H   0  0  0  0  0
    1.4609   -3.2893   -0.4498 H   0  0  0  0  0
    3.0695   -2.7098    2.9188 H   0  0  0  0  0
    1.9067   -1.3979    3.2198 H   0  0  0  0  0
    4.1253   -1.9596    0.8781 H   0  0  0  0  0
    3.3874   -0.4354    1.3022 H   0  0  0  0  0
    2.3311   -0.1916   -0.8732 H   0  0  0  0  0
    2.9019   -1.7378   -1.4504 H   0  0  0  0  0
    6.5594    0.8325   -1.6784 H   0  0  0  0  0
    8.6700   -0.2578   -2.1836 H   0  0  0  0  0
    6.6827   -4.0984   -2.0028 H   0  0  0  0  0
    4.6256   -3.0046   -1.4455 H   0  0  0  0  0
    9.8921   -1.3212   -3.5893 H   0  0  0  0  0
   12.1177   -2.2461   -3.8928 H   0  0  0  0  0
   10.9938   -5.7497   -1.6925 H   0  0  0  0  0
   13.6889   -2.6882   -1.9012 H   0  0  0  0  0
   14.9160   -3.8069   -2.4466 H   0  0  0  0  0
   15.5685   -5.7874   -1.1341 H   0  0  0  0  0
   15.6673   -6.8197    1.1220 H   0  0  0  0  0
   12.5321   -4.2393    2.4800 H   0  0  0  0  0
   12.4206   -3.1669    0.2478 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  2  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 48  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 54  1  0  0  0
 29 55  1  0  0  0
M  END

>  <Chemical Name>
TC-MCH 7c

>  <PubChem CID>
11654412

>  <Formula>
C24H25FN2O3

>  <Molecular Weight>
408.473000

>  <IUPAC Name>
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CCN(C1)CCOC2=CC=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C24H25FN2O3/c25-20-5-3-19(4-6-20)18-30-23-11-14-27(24(28)17-23)21-7-9-22(10-8-21)29-16-15-26-12-1-2-13-26/h3-11,14,17H,1-2,12-13,15-16,18H2

>  <InChI Key>
ANCFKYJMXNMYNZ-UHFFFAOYSA-N

