56642915
  -OEChem-05102418172D

 48 49  0     0  0  0  0  0  0999 V2000
    1.4030    3.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9340    9.7400    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    5.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    3.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    5.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    4.2277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    3.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    5.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    5.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    5.7026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    5.0123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    2.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    2.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6412    5.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0212    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340    9.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 48  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 15  2  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 15 19  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642915

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAABQAAAHgIIAAAADAbBmCYyBoMABACgAjBjAACSCAAgJQAYiAAuDpgMZqKFsxuUMChkyBGIqAeQwAAOIAAAAAABAABAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-N-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]-1-(4-methoxyphenyl)methanimine;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-<I>N</I>-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine;hydrochloride

> <PUBCHEM_IUPAC_NAME>
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-[4-(2-chlorobenzyl)piperazino]-p-anisylidene-amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22ClN3O.ClH/c1-24-18-8-6-16(7-9-18)14-21-23-12-10-22(11-13-23)15-17-4-2-3-5-19(17)20;/h2-9,14H,10-13,15H2,1H3;1H/b21-14-;

> <PUBCHEM_IUPAC_INCHIKEY>
OJHUOZJHEYVTGB-UXTSPRGOSA-N

> <PUBCHEM_EXACT_MASS>
379.1218178

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23Cl2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
380.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C=NN2CCN(CC2)CC3=CC=CC=C3Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)/C=N\N2CCN(CC2)CC3=CC=CC=C3Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
28.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
379.1218178

> <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>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
13  16  8
14  17  8
16  18  8
17  18  8
19  20  8
19  21  8
20  22  8
21  23  8
22  24  8
23  24  8

$$$$