
 MLS000334786

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M  END

>  <Chemical Name>
MLS000334786

>  <PubChem CID>
6905845

>  <Formula>
C24H17N5O2

>  <Molecular Weight>
407.433000

>  <IUPAC Name>
N-[(E)-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-3-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)C=NNC(=O)C5=CN=CC=C5

>  <Isomeric SMILES>
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4O3)/C=N/NC(=O)C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H17N5O2/c30-24(18-8-6-12-25-14-18)27-26-15-19-16-29(20-9-2-1-3-10-20)28-23(19)22-13-17-7-4-5-11-21(17)31-22/h1-16H,(H,27,30)/b26-15+

>  <InChI Key>
CAEZKMVXBNAAGV-CVKSISIWSA-N

