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Y3Q

Summary
Name:6-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one
Formula:C15 H17 Cl N2 O2
Formal charge:0
Formula weight:292.761 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}pyridazin-3(2H)-one
OpenEye OEToolkits2.0.73-[(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-1~{H}-pyridazin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)c1cc(Cl)c(C)cc1OCC=1C=CC(=O)NN=1
InChIInChI1.06InChI=1S/C15H17ClN2O2/c1-9(2)12-7-13(16)10(3)6-14(12)20-8-11-4-5-15(19)18-17-11/h4-7,9H,8H2,1-3H3,(H,18,19)
InChIKeyInChI1.06AZYUESWVZZCXHD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1cc(Cl)c(C)cc1OCC2=NNC(=O)C=C2
SMILESCACTVS3.385CC(C)c1cc(Cl)c(C)cc1OCC2=NNC(=O)C=C2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(c(cc1Cl)C(C)C)OCC2=NNC(=O)C=C2
SMILESOpenEye OEToolkits2.0.7Cc1cc(c(cc1Cl)C(C)C)OCC2=NNC(=O)C=C2

250835

PDB entries from 2026-03-18

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