
 SCHEMBL805679

 68 71  0  0  0  0  0  0  0  0999 V2000
    1.1509    3.2106   -0.2785 C   0  0  0  0  0
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   12.5166    0.0514   -4.6208 C   0  0  0  0  0
   10.3325   -0.4297   -7.4812 F   0  0  0  0  0
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    0.7953    2.8586    0.6951 H   0  0  0  0  0
    0.7980    2.5141   -1.0458 H   0  0  0  0  0
    2.9882    4.0731    0.4292 H   0  0  0  0  0
    2.9892    3.6777   -1.2851 H   0  0  0  0  0
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    6.8777    2.9984   -1.4166 H   0  0  0  0  0
    9.2790    2.8812    4.1432 H   0  0  0  0  0
   11.0000    2.8072    4.4107 H   0  0  0  0  0
    8.6646    1.3909    5.9514 H   0  0  0  0  0
    8.4714   -0.9070    6.8162 H   0  0  0  0  0
    9.7427   -2.7558    5.7596 H   0  0  0  0  0
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   11.4068   -0.0187    2.9245 H   0  0  0  0  0
   12.7623    2.4892    3.5419 H   0  0  0  0  0
   13.4892    0.6003    2.2196 H   0  0  0  0  0
   14.8327    1.6844    2.5812 H   0  0  0  0  0
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   12.2649   -1.4939   -6.1163 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL805679

>  <PubChem CID>
25060537

>  <Formula>
C30H31F2N3O2

>  <Molecular Weight>
503.594000

>  <IUPAC Name>
1-benzyl-3-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-N-propylindole-3,6-dicarboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCNC(=O)C1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(C)C)C(=O)NCC4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
CCCNC(=O)C1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(C)C)C(=O)NCC4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C30H31F2N3O2/c1-4-14-33-29(36)22-11-12-23-26(16-22)35(18-20-8-6-5-7-9-20)28(19(2)3)27(23)30(37)34-17-21-10-13-24(31)25(32)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,33,36)(H,34,37)

>  <InChI Key>
AZFBFWKEVAJEIS-UHFFFAOYSA-N

