
 SCHEMBL289923

 65 68  0  0  0  0  0  0  0  0999 V2000
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    3.3542    0.7349   -1.1918 C   0  0  0  0  0
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    8.8430    6.0223    0.1945 C   0  0  0  0  0
    8.5932    4.6694    0.4264 N   0  0  0  0  0
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    5.3045    8.5202   -5.9765 C   0  0  0  0  0
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    2.2196   -0.3145   -2.7020 H   0  0  0  0  0
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    6.9413    2.2957    0.7699 H   0  0  0  0  0
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    3.3653    4.5918    0.1216 H   0  0  0  0  0
    9.1151    2.9622    1.5031 H   0  0  0  0  0
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   12.7128    2.9863   -2.6463 H   0  0  0  0  0
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    9.4924    0.1669   -2.3374 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL289923

>  <PubChem CID>
25059488

>  <Formula>
C29H30F2N2O2

>  <Molecular Weight>
476.568000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCOC1=CC2=C(C=C1)C(=C(N2CC3=CC=CC=C3)C(C)C)C(=O)NCC4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
CCCOC1=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/C29H30F2N2O2/c1-4-14-35-22-11-12-23-26(16-22)33(18-20-8-6-5-7-9-20)28(19(2)3)27(23)29(34)32-17-21-10-13-24(30)25(31)15-21/h5-13,15-16,19H,4,14,17-18H2,1-3H3,(H,32,34)

>  <InChI Key>
AFDUGVKJXKJJMO-UHFFFAOYSA-N

