
 N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.0039    0.9079    1.8489 C   0  0  0  0  0
    1.8839    2.3980    2.0364 C   0  0  0  0  0
    0.9429    2.8941    2.6513 O   0  0  0  0  0
    2.9327    3.2793    1.4524 C   0  0  0  0  0
    2.6341    4.6295    1.2443 C   0  0  0  0  0
    3.5798    5.4780    0.6600 C   0  0  0  0  0
    4.8340    4.9891    0.2749 C   0  0  0  0  0
    5.1400    3.6490    0.5191 C   0  0  0  0  0
    4.1965    2.7958    1.1053 C   0  0  0  0  0
    5.7218    5.8960   -0.3377 N   0  0  0  0  0
    6.9228    5.5941   -0.9554 C   0  0  0  0  0
    7.3990    4.4824   -1.1406 O   0  0  0  0  0
    7.6536    6.7721   -1.4984 C   0  0  0  0  0
    7.6958    7.9890   -0.8099 C   0  0  0  0  0
    8.3770    9.0787   -1.3603 C   0  0  0  0  0
    9.0261    8.9572   -2.6003 C   0  0  0  0  0
    9.0058    7.7290   -3.2759 C   0  0  0  0  0
    8.3249    6.6402   -2.7202 C   0  0  0  0  0
    9.6896   10.0813   -3.1498 N   0  0  0  0  0
   10.3766   10.2028   -4.3309 C   0  0  0  0  0
   10.8139   11.4347   -4.4558 N   0  0  0  0  0
   10.3947   12.0931   -3.3307 N   0  0  0  0  0
    9.7136   11.2846   -2.5314 N   0  0  0  0  0
    2.3534    0.6696    0.8404 H   0  0  0  0  0
    1.0151    0.4533    1.9640 H   0  0  0  0  0
    2.6806    0.4908    2.5982 H   0  0  0  0  0
    1.6581    5.0236    1.5222 H   0  0  0  0  0
    3.3094    6.5181    0.4962 H   0  0  0  0  0
    6.1129    3.2348    0.2701 H   0  0  0  0  0
    4.4794    1.7623    1.2844 H   0  0  0  0  0
    5.3887    6.8478   -0.4204 H   0  0  0  0  0
    7.2272    8.0983    0.1653 H   0  0  0  0  0
    8.3955   10.0146   -0.8025 H   0  0  0  0  0
    9.5024    7.5777   -4.2304 H   0  0  0  0  0
    8.3111    5.6858   -3.2458 H   0  0  0  0  0
   10.5248    9.4044   -5.0398 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 23  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
M  END

>  <Chemical Name>
N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide

>  <PubChem CID>
864758

>  <Formula>
C16H13N5O2

>  <Molecular Weight>
307.313000

>  <IUPAC Name>
N-(4-acetylphenyl)-4-(tetrazol-1-yl)benzamide

>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=N3

>  <Isomeric SMILES>
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NN=N3

>  <InChI Std. ID>
InChI=1S/C16H13N5O2/c1-11(22)12-2-6-14(7-3-12)18-16(23)13-4-8-15(9-5-13)21-10-17-19-20-21/h2-10H,1H3,(H,18,23)

>  <InChI Key>
ANOOHITYGDUBCA-UHFFFAOYSA-N

