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A1L7D

Summary
Name:5-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione
Formula:C20 H15 N3 O4
Formal charge:0
Formula weight:361.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-(1-methyl-5-oxidanyl-pyrazol-4-yl)carbonyl-2-(phenylmethyl)isoindole-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H15N3O4/c1-22-18(25)16(10-21-22)17(24)13-7-8-14-15(9-13)20(27)23(19(14)26)11-12-5-3-2-4-6-12/h2-10,25H,11H2,1H3
InChIKeyInChI1.06GNZCKXMCPWJIFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2
SMILESCACTVS3.385Cn1ncc(c1O)C(=O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O
SMILESOpenEye OEToolkits2.0.7Cn1c(c(cn1)C(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O

238582

PDB entries from 2025-07-09

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