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9G4

Summary
Name:1-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide
Formula:C20 H17 Cl N4 O4
Formal charge:0
Formula weight:412.826 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-{4-[(acetylamino)methyl]phenyl}-4-(4-chlorophenoxy)-6-oxo-1,6-dihydropyridazine-3-carboxamide
OpenEye OEToolkits1.7.61-[4-(acetamidomethyl)phenyl]-4-(4-chloranylphenoxy)-6-oxidanylidene-pyridazine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccc(OC1=CC(=O)N(N=C1C(=O)N)c2ccc(cc2)CNC(=O)C)cc3
InChIInChI1.03InChI=1S/C20H17ClN4O4/c1-12(26)23-11-13-2-6-15(7-3-13)25-18(27)10-17(19(24-25)20(22)28)29-16-8-4-14(21)5-9-16/h2-10H,11H2,1H3,(H2,22,28)(H,23,26)
InChIKeyInChI1.03SYAJIRKWQQECEF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NCc1ccc(cc1)N2N=C(C(N)=O)C(=CC2=O)Oc3ccc(Cl)cc3
SMILESCACTVS3.385CC(=O)NCc1ccc(cc1)N2N=C(C(N)=O)C(=CC2=O)Oc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl
SMILESOpenEye OEToolkits1.7.6CC(=O)NCc1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl

226262

PDB entries from 2024-10-16

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