1788385
  -OEChem-05201313362D

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    2.8660   -7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1951   -5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    5.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 28  1  0  0  0  0
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  3 19  2  0  0  0  0
  4 14  1  0  0  0  0
  4 20  2  0  0  0  0
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  5  9  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  8 17  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
1788385

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
581

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAGAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABVAAAHAIAAAAADArBGCQywIIAAACgAjRjRACCAAAgBwAIiAAgZpgIIKKBk5GAIABggAAIyAcQgMAOiAACIAACAAAQAARAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(3-chlorophenyl)-N-[4-[4-[(3-chlorophenyl)methyleneamino]-3-methyl-phenyl]-2-methyl-phenyl]methanimine

> <PUBCHEM_IUPAC_CAS_NAME>
1-(3-chlorophenyl)-N-[4-[4-[(3-chlorophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine

> <PUBCHEM_IUPAC_NAME>
1-(3-chlorophenyl)-N-[4-[4-[(3-chlorophenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(3-chlorophenyl)-N-[4-[4-[(3-chlorophenyl)methylideneamino]-3-methyl-phenyl]-2-methyl-phenyl]methanimine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-chlorobenzylidene)-[4-[4-[(3-chlorobenzylidene)amino]-3-methyl-phenyl]-2-methyl-phenyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H22Cl2N2/c1-19-13-23(9-11-27(19)31-17-21-5-3-7-25(29)15-21)24-10-12-28(20(2)14-24)32-18-22-6-4-8-26(30)16-22/h3-18H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
MLWUHSOYQFCWFS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
8.1

> <PUBCHEM_EXACT_MASS>
456.116004

> <PUBCHEM_MOLECULAR_FORMULA>
C28H22Cl2N2

> <PUBCHEM_MOLECULAR_WEIGHT>
457.39368

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=CC3=CC(=CC=C3)Cl)C)N=CC4=CC(=CC=C4)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=CC3=CC(=CC=C3)Cl)C)N=CC4=CC(=CC=C4)Cl

> <PUBCHEM_CACTVS_TPSA>
24.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.116004

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  15  8
12  16  8
13  15  8
14  16  8
21  23  8
21  25  8
22  24  8
22  26  8
23  27  8
24  28  8
25  29  8
26  30  8
27  31  8
28  32  8
29  31  8
30  32  8
5  11  8
5  9  8
6  10  8
6  12  8
7  10  8
7  14  8
8  13  8
8  9  8

$$$$