
 CYPROHEPTADINE

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.9336    0.0527    0.2273 C   0  0  0  0  0
    2.3837    0.1075    0.0542 N   0  0  0  0  0
    2.9352   -1.1903   -0.3794 C   0  0  0  0  0
    2.6784   -1.5423   -1.8542 C   0  0  0  0  0
    3.1626   -0.4279   -2.7729 C   0  0  0  0  0
    4.0302   -0.5928   -3.8065 C   0  0  0  0  0
    4.3218    0.5070   -4.7617 C   0  0  0  0  0
    5.0826    1.6161   -4.3590 C   0  0  0  0  0
    5.3763    2.6378   -5.2622 C   0  0  0  0  0
    4.9242    2.5541   -6.5764 C   0  0  0  0  0
    4.1910    1.4414   -6.9946 C   0  0  0  0  0
    3.9010    0.3960   -6.1040 C   0  0  0  0  0
    3.1391   -0.7592   -6.6211 C   0  0  0  0  0
    3.2961   -2.0504   -6.2780 C   0  0  0  0  0
    4.2600   -2.5951   -5.3025 C   0  0  0  0  0
    4.8288   -3.8515   -5.5612 C   0  0  0  0  0
    5.7546   -4.4142   -4.6782 C   0  0  0  0  0
    6.1221   -3.7312   -3.5223 C   0  0  0  0  0
    5.5539   -2.4901   -3.2412 C   0  0  0  0  0
    4.6041   -1.9280   -4.1109 C   0  0  0  0  0
    2.5091    0.8844   -2.3675 C   0  0  0  0  0
    2.7842    1.1784   -0.8793 C   0  0  0  0  0
    0.5629    1.0044    0.6239 H   0  0  0  0  0
    0.6654   -0.7135    0.9632 H   0  0  0  0  0
    0.3927   -0.1630   -0.6992 H   0  0  0  0  0
    2.5494   -1.9939    0.2605 H   0  0  0  0  0
    4.0192   -1.1736   -0.2047 H   0  0  0  0  0
    3.1360   -2.5114   -2.0665 H   0  0  0  0  0
    1.6033   -1.6865   -2.0226 H   0  0  0  0  0
    5.4495    1.6839   -3.3377 H   0  0  0  0  0
    5.9615    3.4954   -4.9411 H   0  0  0  0  0
    5.1533    3.3482   -7.2825 H   0  0  0  0  0
    3.8663    1.3863   -8.0313 H   0  0  0  0  0
    2.3970   -0.5179   -7.3791 H   0  0  0  0  0
    2.6738   -2.7923   -6.7738 H   0  0  0  0  0
    4.5707   -4.3954   -6.4669 H   0  0  0  0  0
    6.1973   -5.3816   -4.9011 H   0  0  0  0  0
    6.8530   -4.1604   -2.8423 H   0  0  0  0  0
    5.8518   -1.9564   -2.3417 H   0  0  0  0  0
    2.8519    1.7392   -2.9546 H   0  0  0  0  0
    1.4292    0.8148   -2.5473 H   0  0  0  0  0
    3.8609    1.3533   -0.7479 H   0  0  0  0  0
    2.2998    2.1209   -0.5953 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2 22  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 21  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CYPROHEPTADINE

>  <PubChem CID>
2913

>  <Formula>
C21H21N

>  <Molecular Weight>
287.406000

>  <IUPAC Name>
4-(dibenzo[1,2-a:1',2'-e][7]annulen-11-ylidene)-1-methylpiperidine

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1

>  <Isomeric SMILES>
CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1

>  <InChI Std. ID>
InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

>  <InChI Key>
JJCFRYNCJDLXIK-UHFFFAOYSA-N

