Z92

(4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one

Created:	2010-01-21
Last modified:	2020-06-05

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1 entries where Z92 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of Z92

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Chemical Component Summary
Name	(4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one
Synonyms	(4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one
Systematic Name (OpenEye OEToolkits)	(4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one
Formula	C₁₇ H₁₅ Cl N₄ O₃
Molecular Weight	358.779
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3
SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.352	COc1ccc(cc1OC)C\2=NNC(=O)C\2=N/Nc3ccc(Cl)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/Nc3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23)
InChIKey	InChI	1.03	UXJPKQXTZFNBHT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9885165

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