22C

1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one

Created:	2013-08-22
Last modified:	2024-09-27

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1 entries where 22C is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of 22C

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Chemical Component Summary
Name	1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
Systematic Name (OpenEye OEToolkits)	1-[4-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]piperazin-1-yl]propan-1-one
Formula	C₁₅ H₁₈ Cl₂ N₂ O₃
Molecular Weight	345.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCN(C(=O)CC)CC1)COc2ccc(Cl)cc2Cl
SMILES	CACTVS	3.385	CCC(=O)N1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
SMILES	OpenEye OEToolkits	1.7.6	CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl
InChI	InChI	1.03	InChI=1S/C15H18Cl2N2O3/c1-2-14(20)18-5-7-19(8-6-18)15(21)10-22-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
InChIKey	InChI	1.03	YJBVQFKUOLBFAH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	110817114

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