
 SCHEMBL805638

 65 68  0  0  0  0  0  0  0  0999 V2000
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    3.4548    5.6409   -6.7809 F   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL805638

>  <PubChem CID>
25060265

>  <Formula>
C29H29F2N3O2

>  <Molecular Weight>
489.567000

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

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCNC(=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>
CCNC(=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/C29H29F2N3O2/c1-4-32-28(35)21-11-12-22-25(15-21)34(17-19-8-6-5-7-9-19)27(18(2)3)26(22)29(36)33-16-20-10-13-23(30)24(31)14-20/h5-15,18H,4,16-17H2,1-3H3,(H,32,35)(H,33,36)

>  <InChI Key>
AWDNYSSLNNWAGU-UHFFFAOYSA-N

