
 ZD-7155

 59 63  0  0  0  0  0  0  0  0999 V2000
    3.0444   -0.0234   -2.2452 C   0  0  0  0  0
    3.2589    0.1440   -0.7487 C   0  0  0  0  0
    3.5871    1.5711   -0.3952 C   0  0  0  0  0
    4.8908    1.9026   -0.3378 N   0  0  0  0  0
    5.2184    3.1838   -0.0468 C   0  0  0  0  0
    4.2521    4.1830    0.1467 C   0  0  0  0  0
    4.6273    5.5905    0.5110 C   0  0  0  0  0
    3.5878    6.5639    0.0112 C   0  0  0  0  0
    2.2147    6.1717    0.4853 C   0  0  0  0  0
    1.4292    7.0351    0.8791 O   0  0  0  0  0
    1.8865    4.8220    0.3451 N   0  0  0  0  0
    2.8918    3.8276    0.0910 C   0  0  0  0  0
    2.5734    2.4946   -0.1716 C   0  0  0  0  0
    0.4687    4.4727    0.4802 C   0  0  0  0  0
   -0.3080    4.6431   -0.8126 C   0  0  0  0  0
   -0.5032    3.5769   -1.6971 C   0  0  0  0  0
   -1.1712    3.7659   -2.9115 C   0  0  0  0  0
   -1.6825    5.0209   -3.2753 C   0  0  0  0  0
   -1.5176    6.0786   -2.3703 C   0  0  0  0  0
   -0.8312    5.8956   -1.1642 C   0  0  0  0  0
   -2.3925    5.1972   -4.5594 C   0  0  0  0  0
   -3.5260    4.3899   -4.8067 C   0  0  0  0  0
   -4.2645    4.4973   -5.9865 C   0  0  0  0  0
   -3.8949    5.4257   -6.9495 C   0  0  0  0  0
   -2.7854    6.2412   -6.7310 C   0  0  0  0  0
   -2.0190    6.1358   -5.5510 C   0  0  0  0  0
   -0.8530    7.0031   -5.4252 C   0  0  0  0  0
   -0.8276    8.2899   -5.8248 N   0  0  0  0  0
    0.4333    8.6104   -5.5032 N   0  0  0  0  0
    1.1768    7.6314   -4.9813 N   0  0  0  0  0
    0.3616    6.5870   -4.9303 N   0  0  0  0  0
    6.7020    3.4436    0.0388 C   0  0  0  0  0
    7.2888    3.8177   -1.3135 C   0  0  0  0  0
    2.8111   -1.0667   -2.4803 H   0  0  0  0  0
    3.9410    0.2596   -2.8074 H   0  0  0  0  0
    2.2155    0.5979   -2.6015 H   0  0  0  0  0
    4.0789   -0.5068   -0.4226 H   0  0  0  0  0
    2.3662   -0.1805   -0.2013 H   0  0  0  0  0
    4.7219    5.6544    1.6019 H   0  0  0  0  0
    5.5878    5.8771    0.0720 H   0  0  0  0  0
    3.8183    7.5703    0.3775 H   0  0  0  0  0
    3.5680    6.6016   -1.0848 H   0  0  0  0  0
    1.5556    2.1386   -0.2146 H   0  0  0  0  0
    0.0132    5.1187    1.2429 H   0  0  0  0  0
    0.3458    3.4618    0.8831 H   0  0  0  0  0
   -0.1383    2.5820   -1.4676 H   0  0  0  0  0
   -1.2802    2.9178   -3.5850 H   0  0  0  0  0
   -1.9112    7.0665   -2.6009 H   0  0  0  0  0
   -0.7023    6.7502   -0.5016 H   0  0  0  0  0
   -3.8495    3.6670   -4.0585 H   0  0  0  0  0
   -5.1297    3.8591   -6.1458 H   0  0  0  0  0
   -4.4661    5.5175   -7.8698 H   0  0  0  0  0
   -2.5064    6.9625   -7.4981 H   0  0  0  0  0
    0.8089    9.5431   -5.6512 H   0  0  0  0  0
    7.1979    2.5335    0.4005 H   0  0  0  0  0
    6.9243    4.2138    0.7849 H   0  0  0  0  0
    7.1345    3.0177   -2.0455 H   0  0  0  0  0
    8.3659    3.9898   -1.2230 H   0  0  0  0  0
    6.8312    4.7284   -1.7127 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3 13  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32 55  1  0  0  0
 32 56  1  0  0  0
 33 57  1  0  0  0
 33 58  1  0  0  0
 33 59  1  0  0  0
M  END

>  <Chemical Name>
ZD-7155

>  <PubChem CID>
4673492

>  <Formula>
C26H26N6O

>  <Molecular Weight>
438.535000

>  <IUPAC Name>
5,7-diethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydro-1,6-naphthyridin-2-one

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=NC(=C2CCC(=O)N(C2=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)CC

>  <Isomeric SMILES>
CCC1=NC(=C2CCC(=O)N(C2=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)CC

>  <InChI Std. ID>
InChI=1S/C26H26N6O/c1-3-19-15-24-22(23(4-2)27-19)13-14-25(33)32(24)16-17-9-11-18(12-10-17)20-7-5-6-8-21(20)26-28-30-31-29-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,28,29,30,31)

>  <InChI Key>
BFVNEYDCFJNLGN-UHFFFAOYSA-N

