
 CHEMBL1669023

 77 81  0  0  0  0  0  0  0  0999 V2000
    4.1970    2.2409   -3.4107 C   0  0  0  0  0
    3.8625    3.0776   -2.1895 C   0  0  0  0  0
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    4.2143    2.8629   -4.3091 H   0  0  0  0  0
    3.4654    1.4387   -3.5453 H   0  0  0  0  0
    5.1799    1.7704   -3.3015 H   0  0  0  0  0
    2.8946    3.5683   -2.3426 H   0  0  0  0  0
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    5.1315   -0.2883   -1.9722 H   0  0  0  0  0
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    4.7766   -2.4040   -2.4480 H   0  0  0  0  0
    6.4647   -7.4834   -1.2891 H   0  0  0  0  0
    5.6829   -7.0867   -2.7997 H   0  0  0  0  0
    3.4872   -7.2114   -1.8818 H   0  0  0  0  0
    4.0256   -6.9707   -0.2286 H   0  0  0  0  0
    3.8974   -9.4632   -1.7304 H   0  0  0  0  0
    5.4795   -7.8606    1.1142 H   0  0  0  0  0
    6.2107   -9.3759    1.4956 H   0  0  0  0  0
    5.1073  -11.0218    3.0171 H   0  0  0  0  0
    3.8349  -11.2428    5.1192 H   0  0  0  0  0
    2.3801   -9.3895    5.8934 H   0  0  0  0  0
    2.1870   -7.3357    4.5802 H   0  0  0  0  0
    3.6241   -5.4160    3.7409 H   0  0  0  0  0
    1.9867   -5.7093    3.0365 H   0  0  0  0  0
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    8.4639   -3.2968    1.1872 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1669023

>  <PubChem CID>
53325767

>  <Formula>
C34H36N2O5

>  <Molecular Weight>
552.671000

>  <IUPAC Name>
N-[2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]ethyl]-2-(2-methoxyphenyl)acetamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4)CCNC(=O)CC5=CC=CC=C5OC)C

>  <Isomeric SMILES>
CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=C(C=C(C=C4)CCNC(=O)CC5=CC=CC=C5OC)C

>  <InChI Std. ID>
InChI=1S/C34H36N2O5/c1-5-40-32-25-12-8-9-13-26(25)33(41-6-2)31-27(32)21-36(34(31)38)28-16-15-23(19-22(28)3)17-18-35-30(37)20-24-11-7-10-14-29(24)39-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H,35,37)

>  <InChI Key>
BPNODZGGZHIYEJ-UHFFFAOYSA-N

