
 SMR000176430

 58 61  0  0  0  0  0  0  0  0999 V2000
    2.0088    1.9347    1.6274 C   0  0  0  0  0
    3.3442    1.6752    1.0646 N   0  0  0  0  0
    3.4024    0.7867   -0.1057 C   0  0  0  0  0
    4.8867    0.8235   -0.4616 C   0  0  0  0  0
    5.3283    2.2358   -0.0777 C   0  0  0  0  0
    4.0742    2.8467    0.5532 C   0  0  0  0  0
    3.2835    3.5493   -0.5406 C   0  0  0  0  0
    2.5556    2.8477   -1.4599 C   0  0  0  0  0
    2.5282    1.3227   -1.2761 C   0  0  0  0  0
    1.7476    3.5331   -2.4946 N   0  0  0  0  0
    1.7546    5.0011   -2.5058 C   0  0  0  0  0
    3.0234    5.5500   -3.1944 C   0  0  0  0  0
    3.0043    7.0512   -3.2013 C   0  0  0  0  0
    3.1053    7.8673   -2.0807 C   0  0  0  0  0
    3.0484    9.1673   -2.4506 N   0  0  0  0  0
    2.9053    9.1805   -3.7874 C   0  0  0  0  0
    2.7887   10.2984   -4.6114 C   0  0  0  0  0
    2.6312   10.0859   -5.9932 C   0  0  0  0  0
    2.5987    8.7718   -6.5127 C   0  0  0  0  0
    2.7251    7.6615   -5.6536 C   0  0  0  0  0
    2.8764    7.9041   -4.2866 C   0  0  0  0  0
    0.9026    2.8160   -3.3574 C   0  0  0  0  0
    0.8158    1.6067   -3.2244 O   0  0  0  0  0
    0.0213    3.3936   -4.4666 C   0  0  0  0  0
   -1.0971    2.6202   -4.8666 C   0  0  0  0  0
   -1.9637    3.0566   -5.8712 C   0  0  0  0  0
   -1.7364    4.2696   -6.5148 C   0  0  0  0  0
   -0.6306    5.0398   -6.1655 C   0  0  0  0  0
    0.2448    4.6093   -5.1635 C   0  0  0  0  0
   -2.8298    4.8187   -7.7717 Cl  0  0  0  0  0
    1.5299    0.8184    5.3465 Cl  0  0  0  0  0
    1.5450    0.9751    1.9391 H   0  0  0  0  0
    1.3281    2.4404    0.9129 H   0  0  0  0  0
    2.1063    2.5766    2.5277 H   0  0  0  0  0
    3.0985   -0.2617    0.1121 H   0  0  0  0  0
    5.1596    0.4818   -1.4822 H   0  0  0  0  0
    5.3841    0.1351    0.2608 H   0  0  0  0  0
    6.1189    2.1330    0.7002 H   0  0  0  0  0
    5.7381    2.8497   -0.9094 H   0  0  0  0  0
    4.3550    3.5887    1.3324 H   0  0  0  0  0
    3.3174    4.6274   -0.5203 H   0  0  0  0  0
    1.4805    1.0526   -1.0240 H   0  0  0  0  0
    2.8307    0.7901   -2.2036 H   0  0  0  0  0
    1.6279    5.3935   -1.4771 H   0  0  0  0  0
    0.8312    5.4165   -2.9333 H   0  0  0  0  0
    3.0788    5.1647   -4.2301 H   0  0  0  0  0
    3.9500    5.2049   -2.6913 H   0  0  0  0  0
    3.2177    7.5325   -1.0583 H   0  0  0  0  0
    3.1022    9.9951   -1.8180 H   0  0  0  0  0
    2.8125   11.2995   -4.2013 H   0  0  0  0  0
    2.5312   10.9325   -6.6596 H   0  0  0  0  0
    2.4732    8.6173   -7.5768 H   0  0  0  0  0
    2.6986    6.6577   -6.0512 H   0  0  0  0  0
   -1.3119    1.6730   -4.3879 H   0  0  0  0  0
   -2.8155    2.4480   -6.1469 H   0  0  0  0  0
   -0.4409    5.9759   -6.6759 H   0  0  0  0  0
    1.0857    5.2344   -4.9806 H   0  0  0  0  0
    0.7336    0.2509    4.3791 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 22  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 21  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 18 19  2  0  0  0
 18 51  1  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 21  2  0  0  0
 20 53  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
 31 58  1  0  0  0
M  END

>  <Chemical Name>
SMR000176430

>  <PubChem CID>
2870044

>  <Formula>
C25H27Cl2N3O

>  <Molecular Weight>
456.411000

>  <IUPAC Name>
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)benzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2CCC1C=C(C2)N(CCC3=CNC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl.Cl

>  <Isomeric SMILES>
CN1C2CCC1C=C(C2)N(CCC3=CNC4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C25H26ClN3O.ClH/c1-28-20-10-11-21(28)15-22(14-20)29(25(30)17-6-8-19(26)9-7-17)13-12-18-16-27-24-5-3-2-4-23(18)24;/h2-9,14,16,20-21,27H,10-13,15H2,1H3;1H

>  <InChI Key>
CDVUKEJIJJNWBB-UHFFFAOYSA-N

