MZI

2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate

Created:	2022-03-22
Last modified:	2023-03-29

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1 entries where MZI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of MZI

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Chemical Component Summary
Name	2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate
Systematic Name (OpenEye OEToolkits)	[2-[[4-[2-[4-(6-chloranylpyridazin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]amino]-2-oxidanylidene-ethyl] ethanoate
Formula	C₂₀ H₂₂ Cl N₅ O₄
Molecular Weight	431.873
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Cc1ccc(NC(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1
SMILES	CACTVS	3.385	CC(=O)OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)OCC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl
Canonical SMILES	CACTVS	3.385	CC(=O)OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)OCC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl
InChI	InChI	1.03	InChI=1S/C20H22ClN5O4/c1-14(27)30-13-19(28)22-16-4-2-15(3-5-16)12-20(29)26-10-8-25(9-11-26)18-7-6-17(21)23-24-18/h2-7H,8-13H2,1H3,(H,22,28)
InChIKey	InChI	1.03	MASGWEOQCQKQCO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155146171

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