
 SR-02000000443

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M  END

>  <Chemical Name>
SR-02000000443

>  <PubChem CID>
46835807

>  <Formula>
C20H20ClN3O

>  <Molecular Weight>
353.850000

>  <IUPAC Name>
4-(benzylamino)-5-chloro-2-(4-propan-2-ylphenyl)pyridazin-3-one

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)NCC3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)NCC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H20ClN3O/c1-14(2)16-8-10-17(11-9-16)24-20(25)19(18(21)13-23-24)22-12-15-6-4-3-5-7-15/h3-11,13-14,22H,12H2,1-2H3

>  <InChI Key>
BUBKAZGCPPCWCH-UHFFFAOYSA-N

