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JJZ

Summary
Name:4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide
Formula:C25 H20 Cl N3 O2
Formal charge:0
Formula weight:429.898 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-(3-chlorophenyl)-4-oxobutanamide
OpenEye OEToolkits1.7.0N'-(anthracen-9-ylmethylideneamino)-N-(3-chlorophenyl)butanediamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4cc(NC(=O)CCC(=O)N/N=C/c3c1ccccc1cc2ccccc23)ccc4
SMILES_CANONICALCACTVS3.370Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc4ccccc24)c1
SMILESCACTVS3.370Clc1cccc(NC(=O)CCC(=O)NN=Cc2c3ccccc3cc4ccccc24)c1
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl
InChIInChI1.03InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
InChIKeyInChI1.03OJLFRDWWYAPUAJ-JVWAILMASA-N

222415

數據於2024-07-10公開中

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