
 BDBM85802

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.7434    2.2866   -2.3842 C   0  0  0  0  0
    2.5571    2.9980   -1.0506 C   0  0  0  0  0
    3.8748    3.3426   -0.3541 C   0  0  0  0  0
    4.6333    2.1772    0.0648 N   0  0  0  0  0
    4.4797    1.5080    1.2485 C   0  0  0  0  0
    5.3638    0.4493    1.2526 C   0  0  0  0  0
    6.0764    0.4654    0.0173 C   0  0  0  0  0
    5.6307    1.5886   -0.6620 C   0  0  0  0  0
    7.0835   -0.4534   -0.5168 C   0  0  0  0  0
    7.8406   -0.1101   -1.4234 O   0  0  0  0  0
    7.1357   -1.8583   -0.0189 C   0  0  0  0  0
    5.9148   -2.5412    0.1313 C   0  0  0  0  0
    5.8941   -3.8739    0.5235 C   0  0  0  0  0
    7.0923   -4.5462    0.7414 C   0  0  0  0  0
    8.3273   -3.9008    0.5750 C   0  0  0  0  0
    9.5175   -4.6200    0.7741 C   0  0  0  0  0
   10.7608   -4.0133    0.6112 C   0  0  0  0  0
   10.8298   -2.6736    0.2576 C   0  0  0  0  0
    9.6548   -1.9434    0.0583 C   0  0  0  0  0
    8.3729   -2.5333    0.1957 C   0  0  0  0  0
    1.7779    2.1700   -2.8870 H   0  0  0  0  0
    3.1660    1.2865   -2.2480 H   0  0  0  0  0
    3.4038    2.8552   -3.0466 H   0  0  0  0  0
    1.9327    2.3773   -0.3974 H   0  0  0  0  0
    2.0066    3.9292   -1.2298 H   0  0  0  0  0
    3.6759    3.9363    0.5459 H   0  0  0  0  0
    4.5174    3.9449   -1.0067 H   0  0  0  0  0
    3.7568    1.8302    1.9875 H   0  0  0  0  0
    5.4729   -0.2640    2.0602 H   0  0  0  0  0
    5.9285    1.9767   -1.6283 H   0  0  0  0  0
    4.9691   -2.0470   -0.0816 H   0  0  0  0  0
    4.9470   -4.3946    0.6396 H   0  0  0  0  0
    7.0553   -5.5945    1.0328 H   0  0  0  0  0
    9.4854   -5.6718    1.0515 H   0  0  0  0  0
   11.6715   -4.5877    0.7583 H   0  0  0  0  0
   11.7954   -2.1916    0.1271 H   0  0  0  0  0
    9.7579   -0.8964   -0.2220 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  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
BDBM85802

>  <PubChem CID>
10084127

>  <Formula>
C18H17NO

>  <Molecular Weight>
263.340000

>  <IUPAC Name>
naphthalen-1-yl-(1-propylpyrrol-3-yl)methanone

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN1C=CC(=C1)C(=O)C2=CC=CC3=CC=CC=C32

>  <Isomeric SMILES>
CCCN1C=CC(=C1)C(=O)C2=CC=CC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C18H17NO/c1-2-11-19-12-10-15(13-19)18(20)17-9-5-7-14-6-3-4-8-16(14)17/h3-10,12-13H,2,11H2,1H3

>  <InChI Key>
ANVCANCAZRKUGF-UHFFFAOYSA-N

