5716998
  -OEChem-04182422112D

 32 34  0     0  0  0  0  0  0999 V2000
    5.9674   -0.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    3.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749   -0.1651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.3818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -0.8818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6707    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0036    1.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1739    1.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    2.6865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994    3.1892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4027    3.9711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6208    3.5744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5716998

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
337

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAEABQAAAHAAQAAAADAjBGAQywILAAACgAjRnRACCAAAhAgAIiIAoZJgIICLAkZGEIAhgkABIyAcQgIAOCAAAAAACAAAQAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(Z)-indol-3-ylidenemethyl]-4-methyl-aniline

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(Z)-3-indolylidenemethyl]-4-methylaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>Z</I>)-indol-3-ylidenemethyl]-4-methylaniline

> <PUBCHEM_IUPAC_NAME>
N-[(Z)-indol-3-ylidenemethyl]-4-methylaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(Z)-indol-3-ylidenemethyl]-4-methyl-aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(Z)-indol-3-ylidenemethyl]-(p-tolyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2/c1-12-6-8-14(9-7-12)17-10-13-11-18-16-5-3-2-4-15(13)16/h2-11,17H,1H3/b13-10+

> <PUBCHEM_IUPAC_INCHIKEY>
NDPOQAAPOHPMDG-JLHYYAGUSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
234.115698455

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2

> <PUBCHEM_MOLECULAR_WEIGHT>
234.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)NC=C2C=NC3=CC=CC=C32

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)N/C=C/2\C=NC3=CC=CC=C32

> <PUBCHEM_CACTVS_TPSA>
24.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.115698455

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  16  8
11  17  8
12  16  8
13  17  8
14  15  8
3  5  8
3  8  8
5  10  8
7  12  8
7  13  8
8  14  8

$$$$