
 SCHEMBL805715

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M  END

>  <Chemical Name>
SCHEMBL805715

>  <PubChem CID>
44233497

>  <Formula>
C29H29F2N3O2

>  <Molecular Weight>
489.567000

>  <IUPAC Name>
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-propan-2-ylindole-3-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(=NOC)C)C(=O)NCC4=CC(=C(C=C4)F)F

>  <Isomeric SMILES>
CC(C)C1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)/C(=N/OC)/C)C(=O)NCC4=CC(=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C29H29F2N3O2/c1-18(2)28-27(29(35)32-16-21-10-13-24(30)25(31)14-21)23-12-11-22(19(3)33-36-4)15-26(23)34(28)17-20-8-6-5-7-9-20/h5-15,18H,16-17H2,1-4H3,(H,32,35)/b33-19+

>  <InChI Key>
AGCSCYUABDUONY-HNSNBQBZSA-N

