
 Rimcazole

 51 54  0  0  0  0  0  0  0  0999 V2000
    7.3876   -2.2631   -3.2164 C   0  0  0  0  0
    6.5593   -0.9888   -3.0183 C   0  0  0  0  0
    5.0537   -1.2164   -3.3337 C   0  0  0  0  0
    4.3676   -2.0515   -2.3265 N   0  0  0  0  0
    4.5735   -1.4537   -0.9866 C   0  0  0  0  0
    6.0707   -1.2204   -0.6458 C   0  0  0  0  0
    6.7735   -0.4194   -1.6707 N   0  0  0  0  0
    6.2017   -0.5079    0.7015 C   0  0  0  0  0
    2.9278   -2.1965   -2.5910 C   0  0  0  0  0
    2.5736   -2.9132   -3.8982 C   0  0  0  0  0
    3.2117   -4.2973   -4.0179 C   0  0  0  0  0
    2.7951   -4.9748   -5.2423 N   0  0  0  0  0
    3.3226   -4.7055   -6.4927 C   0  0  0  0  0
    4.3388   -3.8233   -6.8988 C   0  0  0  0  0
    4.6396   -3.7401   -8.2610 C   0  0  0  0  0
    3.9552   -4.5137   -9.1913 C   0  0  0  0  0
    2.9544   -5.3989   -8.7775 C   0  0  0  0  0
    2.6310   -5.5001   -7.4072 C   0  0  0  0  0
    1.6928   -6.2893   -6.6723 C   0  0  0  0  0
    0.7490   -7.2704   -7.0451 C   0  0  0  0  0
   -0.0404   -7.8821   -6.0675 C   0  0  0  0  0
    0.0939   -7.5243   -4.7306 C   0  0  0  0  0
    1.0165   -6.5499   -4.3348 C   0  0  0  0  0
    1.8135   -5.9452   -5.3226 C   0  0  0  0  0
    8.4434   -2.0791   -2.9889 H   0  0  0  0  0
    7.3292   -2.5947   -4.2585 H   0  0  0  0  0
    7.0452   -3.0910   -2.5886 H   0  0  0  0  0
    6.9386   -0.2510   -3.7370 H   0  0  0  0  0
    4.9877   -1.6849   -4.3208 H   0  0  0  0  0
    4.5594   -0.2379   -3.4083 H   0  0  0  0  0
    4.0350   -0.4980   -0.9172 H   0  0  0  0  0
    4.1480   -2.1210   -0.2263 H   0  0  0  0  0
    6.5687   -2.1930   -0.5498 H   0  0  0  0  0
    6.3765    0.5204   -1.6632 H   0  0  0  0  0
    5.7298    0.4809    0.6822 H   0  0  0  0  0
    7.2545   -0.3751    0.9737 H   0  0  0  0  0
    5.7245   -1.0924    1.4951 H   0  0  0  0  0
    2.4367   -1.2143   -2.5882 H   0  0  0  0  0
    2.4767   -2.7732   -1.7727 H   0  0  0  0  0
    2.8496   -2.2882   -4.7552 H   0  0  0  0  0
    1.4814   -3.0139   -3.9487 H   0  0  0  0  0
    2.9397   -4.9273   -3.1649 H   0  0  0  0  0
    4.3059   -4.2441   -4.0364 H   0  0  0  0  0
    4.8823   -3.2163   -6.1831 H   0  0  0  0  0
    5.4198   -3.0604   -8.5958 H   0  0  0  0  0
    4.2003   -4.4354  -10.2471 H   0  0  0  0  0
    2.4276   -6.0036   -9.5096 H   0  0  0  0  0
    0.6395   -7.5541   -8.0878 H   0  0  0  0  0
   -0.7613   -8.6411   -6.3561 H   0  0  0  0  0
   -0.5259   -8.0096   -3.9803 H   0  0  0  0  0
    1.1070   -6.2831   -3.2865 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 45  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 47  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
 20 48  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
M  END

>  <Chemical Name>
Rimcazole

>  <PubChem CID>
53389

>  <Formula>
C21H27N3

>  <Molecular Weight>
321.468000

>  <IUPAC Name>
9-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]carbazole

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1CN(CC(N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+

>  <InChI Key>
GUDVQJXODNJRIJ-CALCHBBNSA-N

