
 periciazine

 49 52  0  0  0  0  0  0  0  0999 V2000
   -6.8699    1.8068   -0.6553 C   0  0  0  0  0
   -5.4097    1.3672   -0.7650 C   0  0  0  0  0
   -5.2859   -0.0431   -1.1953 N   0  0  0  0  0
   -5.9352   -0.2178   -2.5084 C   0  0  0  0  0
   -7.4175    0.1657   -2.4646 C   0  0  0  0  0
   -7.6172    1.5906   -1.9641 C   0  0  0  0  0
   -7.1416    2.5233   -2.9351 O   0  0  0  0  0
   -3.8534   -0.4042   -1.2421 C   0  0  0  0  0
   -3.5614   -1.8876   -1.5063 C   0  0  0  0  0
   -4.1767   -2.8121   -0.4450 C   0  0  0  0  0
   -3.8863   -4.2432   -0.7335 N   0  0  0  0  0
   -2.7942   -4.8301   -0.0449 C   0  0  0  0  0
   -2.6324   -4.6471    1.3424 C   0  0  0  0  0
   -1.6165   -5.2911    2.0567 C   0  0  0  0  0
   -0.7378   -6.1429    1.4008 C   0  0  0  0  0
   -0.8770   -6.3488    0.0312 C   0  0  0  0  0
   -1.8992   -5.7085   -0.6893 C   0  0  0  0  0
   -1.9828   -6.0376   -2.4401 S   0  0  0  0  0
   -3.6748   -5.6013   -2.7866 C   0  0  0  0  0
   -4.4256   -4.7592   -1.9413 C   0  0  0  0  0
   -5.7576   -4.4858   -2.3071 C   0  0  0  0  0
   -6.3156   -5.0010   -3.4826 C   0  0  0  0  0
   -5.5484   -5.8045   -4.3234 C   0  0  0  0  0
   -4.2322   -6.1026   -3.9741 C   0  0  0  0  0
   -7.6797   -4.7069   -3.8130 C   0  0  0  0  0
   -8.7813   -4.4605   -4.0770 N   0  0  0  0  0
   -7.3616    1.2417    0.1462 H   0  0  0  0  0
   -6.8988    2.8672   -0.3775 H   0  0  0  0  0
   -4.9499    1.4895    0.2235 H   0  0  0  0  0
   -4.8729    2.0327   -1.4544 H   0  0  0  0  0
   -5.4218    0.3700   -3.2804 H   0  0  0  0  0
   -5.8882   -1.2676   -2.8159 H   0  0  0  0  0
   -7.8394    0.0575   -3.4708 H   0  0  0  0  0
   -7.9531   -0.5304   -1.8068 H   0  0  0  0  0
   -8.6835    1.7946   -1.8162 H   0  0  0  0  0
   -7.6957    2.4243   -3.7289 H   0  0  0  0  0
   -3.3928   -0.1517   -0.2778 H   0  0  0  0  0
   -3.3349    0.1967   -2.0013 H   0  0  0  0  0
   -2.4726   -2.0281   -1.5119 H   0  0  0  0  0
   -3.8972   -2.1573   -2.5130 H   0  0  0  0  0
   -5.2577   -2.6567   -0.3676 H   0  0  0  0  0
   -3.7867   -2.5021    0.5304 H   0  0  0  0  0
   -3.3356   -4.0401    1.9060 H   0  0  0  0  0
   -1.5302   -5.1418    3.1301 H   0  0  0  0  0
    0.0443   -6.6569    1.9531 H   0  0  0  0  0
   -0.1898   -7.0248   -0.4731 H   0  0  0  0  0
   -6.3902   -3.8905   -1.6524 H   0  0  0  0  0
   -5.9649   -6.2102   -5.2421 H   0  0  0  0  0
   -3.6408   -6.7358   -4.6330 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 20  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 17  2  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 25 26  3  0  0  0
M  END

>  <Chemical Name>
periciazine

>  <PubChem CID>
4747

>  <Formula>
C21H23N3OS

>  <Molecular Weight>
365.495000

>  <IUPAC Name>
10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile

>  <XlogP>
3.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N

>  <Isomeric SMILES>
C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N

>  <InChI Std. ID>
InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2

>  <InChI Key>
LUALIOATIOESLM-UHFFFAOYSA-N

