JJZ

4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide

Created:2010-04-20
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count54
Aromatic Bond Count22
2D diagram of JJZ

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Chemical Component Summary

Name4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide
Systematic Name (OpenEye OEToolkits)N'-(anthracen-9-ylmethylideneamino)-N-(3-chlorophenyl)butanediamide
FormulaC25 H20 Cl N3 O2
Molecular Weight429.898
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc4cc(NC(=O)CCC(=O)N/N=C/c3c1ccccc1cc2ccccc23)ccc4
SMILESCACTVS3.370Clc1cccc(NC(=O)CCC(=O)NN=Cc2c3ccccc3cc4ccccc24)c1
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl
Canonical SMILESCACTVS3.370 Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc4ccccc24)c1
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc4cccc(c4)Cl
InChIInChI1.03 InChI=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+
InChIKeyInChI1.03 OJLFRDWWYAPUAJ-JVWAILMASA-N

Related Resource References

Resource NameReference
PubChem 9597188
ChEMBL CHEMBL1084866