71471760
  -OEChem-05132403262D

 50 53  0     0  0  0  0  0  0999 V2000
    8.9942   -0.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041   -0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981   -1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981   -2.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.4576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    2.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    2.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -0.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -3.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -1.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623   -2.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -1.9933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4003   -1.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1701   -0.9171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 35  1  0  0  0  0
  4 15  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 17  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 17 41  1  0  0  0  0
 18 22  1  0  0  0  0
 18 42  1  0  0  0  0
 19 23  2  0  0  0  0
 19 43  1  0  0  0  0
 20 24  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71471760

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
423

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/AAAHgAQAAAADCzBngYyxvPIFACgAyRiRACCiCAhIiAImKA+bJgMJuLE8duENChk0BHI6AewwPAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1-ethyl-4-piperidyl)-2-methoxy-acridin-9-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1-ethyl-4-piperidinyl)-2-methoxy-9-acridinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1-ethylpiperidin-4-yl)-2-methoxyacridin-9-amine

> <PUBCHEM_IUPAC_NAME>
N-(1-ethylpiperidin-4-yl)-2-methoxyacridin-9-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(1-ethylpiperidin-4-yl)-2-methoxy-acridin-9-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1-ethyl-4-piperidyl)-(2-methoxyacridin-9-yl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H25N3O/c1-3-24-12-10-15(11-13-24)22-21-17-6-4-5-7-19(17)23-20-9-8-16(25-2)14-18(20)21/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
OKXOENHAEFFQDT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
335.199762429

> <PUBCHEM_MOLECULAR_FORMULA>
C21H25N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
335.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1CCC(CC1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1CCC(CC1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)OC

> <PUBCHEM_CACTVS_TPSA>
37.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.199762429

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  14  8
12  15  8
12  17  8
14  16  8
14  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  23  8
22  24  8
4  15  8
4  16  8

$$$$