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N16

Summary
Name:(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
Formula:C19 H18 N2 O2
Formal charge:0
Formula weight:306.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
OpenEye OEToolkits1.5.0(3Z,5S)-3-(1-phenylazanylethylidene)-5-(phenylmethyl)pyrrolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C(=C(\Nc1ccccc1)C)/C(=O)C(N2)Cc3ccccc3
SMILES_CANONICALCACTVS3.341C\C(Nc1ccccc1)=C/2C(=O)N[C@@H](Cc3ccccc3)C/2=O
SMILESCACTVS3.341CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2)/Nc3ccccc3
SMILESOpenEye OEToolkits1.5.0CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3
InChIInChI1.03InChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,20H,12H2,1H3,(H,21,23)/b17-13-/t16-/m0/s1
InChIKeyInChI1.03KWSXUGYAGMSUTN-MUBYSKIDSA-N

246704

PDB entries from 2025-12-24

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