
 CHEMBL65708

 37 38  0  0  0  0  0  0  0  0999 V2000
    4.9305   -3.6400    4.5393 C   0  0  0  0  0
    4.1122   -4.9029    4.5440 C   0  0  0  0  0
    4.5523   -5.9812    5.3358 C   0  0  0  0  0
    3.8402   -7.1776    5.3792 C   0  0  0  0  0
    2.6786   -7.3129    4.6318 C   0  0  0  0  0
    2.2347   -6.2537    3.8359 C   0  0  0  0  0
    2.9469   -5.0422    3.7570 C   0  0  0  0  0
    2.4456   -3.9459    3.0000 N   0  0  0  0  0
    1.5597   -4.1258    1.9582 N   0  0  0  0  0
    1.1084   -3.1017    1.1262 C   0  0  0  0  0
    1.6727   -2.0521    0.6224 N   0  0  0  0  0
    3.0179   -1.7189    0.7956 C   0  0  0  0  0
    4.0698   -2.6077    0.5540 C   0  0  0  0  0
    5.3978   -2.1920    0.6899 C   0  0  0  0  0
    5.6858   -0.8707    1.0297 C   0  0  0  0  0
    4.6472    0.0342    1.2319 C   0  0  0  0  0
    3.3226   -0.3916    1.1147 C   0  0  0  0  0
   -0.3711   -3.2815    0.7200 C   0  0  0  0  0
   -0.9531   -4.2912    1.1101 O   0  0  0  0  0
   -1.0152   -2.2079   -0.1050 C   0  0  0  0  0
    5.7426   -3.6838    5.2729 H   0  0  0  0  0
    4.3090   -2.7761    4.7942 H   0  0  0  0  0
    5.3839   -3.4915    3.5547 H   0  0  0  0  0
    5.4576   -5.8906    5.9330 H   0  0  0  0  0
    4.1879   -7.9982    6.0006 H   0  0  0  0  0
    2.1093   -8.2381    4.6693 H   0  0  0  0  0
    1.3130   -6.4000    3.2818 H   0  0  0  0  0
    3.1668   -3.2463    2.8268 H   0  0  0  0  0
    0.7730   -4.7412    2.1926 H   0  0  0  0  0
    3.8601   -3.6332    0.2618 H   0  0  0  0  0
    6.2068   -2.8972    0.5173 H   0  0  0  0  0
    6.7183   -0.5420    1.1183 H   0  0  0  0  0
    4.8639    1.0731    1.4679 H   0  0  0  0  0
    2.5148    0.3231    1.2519 H   0  0  0  0  0
   -0.4957   -2.1067   -1.0607 H   0  0  0  0  0
   -1.0056   -1.2622    0.4422 H   0  0  0  0  0
   -2.0551   -2.4832   -0.3039 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 34  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL65708

>  <PubChem CID>
11065415

>  <Formula>
C16H17N3O

>  <Molecular Weight>
267.332000

>  <IUPAC Name>
N-(2-methylanilino)-2-oxo-N'-phenylpropanimidamide

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1NNC(=NC2=CC=CC=C2)C(=O)C

>  <Isomeric SMILES>
CC1=CC=CC=C1NNC(=NC2=CC=CC=C2)C(=O)C

>  <InChI Std. ID>
InChI=1S/C16H17N3O/c1-12-8-6-7-11-15(12)18-19-16(13(2)20)17-14-9-4-3-5-10-14/h3-11,18H,1-2H3,(H,17,19)

>  <InChI Key>
AHRZKBRUOKXHGT-UHFFFAOYSA-N

