
 MLS000727578

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M  END

>  <Chemical Name>
MLS000727578

>  <PubChem CID>
5048043

>  <Formula>
C23H21BrN4O

>  <Molecular Weight>
449.352000

>  <IUPAC Name>
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-phenylquinoline-4-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NN(C=C1CN(C)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C

>  <Isomeric SMILES>
CC1=NN(C=C1CN(C)C(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4)C

>  <InChI Std. ID>
InChI=1S/C23H21BrN4O/c1-15-17(14-28(3)26-15)13-27(2)23(29)20-12-22(16-7-5-4-6-8-16)25-21-10-9-18(24)11-19(20)21/h4-12,14H,13H2,1-3H3

>  <InChI Key>
AGHSRUDOCZHHSV-UHFFFAOYSA-N

