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KWE

Summary
Name:3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione
Formula:C28 H28 N2 O2
Formal charge:0
Formula weight:424.534 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C28H28N2O2/c31-27-25(20-23-15-6-2-7-16-23)26(28(32)30(27)21-24-17-8-3-9-18-24)29-19-11-10-14-22-12-4-1-5-13-22/h1-9,12-13,15-18,29H,10-11,14,19-21H2
InChIKeyInChI1.03QPFLANLQMKUFTC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1N(Cc2ccccc2)C(=O)C(=C1Cc3ccccc3)NCCCCc4ccccc4
SMILESCACTVS3.385O=C1N(Cc2ccccc2)C(=O)C(=C1Cc3ccccc3)NCCCCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4

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數據於2024-07-17公開中

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