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A1IV8

Summary
Name:~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide
Formula:C21 H20 Cl F N2 O3
Formal charge:0
Formula weight:402.847 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H20ClFN2O3/c1-21(2,20(27)24-14-8-6-7-13(22)11-14)25-12-17(28-3)18(19(25)26)15-9-4-5-10-16(15)23/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyInChI1.06NSSJIPGWTMBBIM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC1=C(C(=O)N(C1)C(C)(C)C(=O)Nc2cccc(Cl)c2)c3ccccc3F
SMILESCACTVS3.385COC1=C(C(=O)N(C1)C(C)(C)C(=O)Nc2cccc(Cl)c2)c3ccccc3F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C(=O)Nc1cccc(c1)Cl)N2CC(=C(C2=O)c3ccccc3F)OC
SMILESOpenEye OEToolkits2.0.7CC(C)(C(=O)Nc1cccc(c1)Cl)N2CC(=C(C2=O)c3ccccc3F)OC

251801

PDB entries from 2026-04-08

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