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41I

Summary
Name:4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
Formula:C17 H12 Cl N3 O3
Formal charge:0
Formula weight:341.748 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide
OpenEye OEToolkits1.7.64-(4-chloranylphenoxy)-6-oxidanylidene-1-phenyl-pyridazine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccc(OC1=CC(=O)N(N=C1C(=O)N)c2ccccc2)cc3
InChIInChI1.03InChI=1S/C17H12ClN3O3/c18-11-6-8-13(9-7-11)24-14-10-15(22)21(20-16(14)17(19)23)12-4-2-1-3-5-12/h1-10H,(H2,19,23)
InChIKeyInChI1.03JNJFDMSSDRBEMQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)C1=NN(C(=O)C=C1Oc2ccc(Cl)cc2)c3ccccc3
SMILESCACTVS3.385NC(=O)C1=NN(C(=O)C=C1Oc2ccc(Cl)cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)N2C(=O)C=C(C(=N2)C(=O)N)Oc3ccc(cc3)Cl

219869

PDB entries from 2024-05-15

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