QWZ

1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one

Created:	2020-08-17
Last modified:	2021-08-25

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2 entries where QWZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	70
Chiral Atom Count	0
Bond Count	73
Aromatic Bond Count	12

2D diagram of QWZ

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Chemical Component Summary
Name	1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one
Synonyms	2-cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one
Systematic Name (OpenEye OEToolkits)	2-cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one
Formula	C₂₈ H₃₆ N₂ O₄
Molecular Weight	464.596
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(CCOc2cc(ccc2OC)C3=NN(C4CCCCCC4)C(=O)C3(C)C)cc1
SMILES	OpenEye OEToolkits	2.0.7	CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C
Canonical SMILES	CACTVS	3.385	COc1ccc(CCOc2cc(ccc2OC)C3=NN(C4CCCCCC4)C(=O)C3(C)C)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc4ccc(cc4)OC)OC)C
InChI	InChI	1.03	InChI=1S/C28H36N2O4/c1-28(2)26(29-30(27(28)31)22-9-7-5-6-8-10-22)21-13-16-24(33-4)25(19-21)34-18-17-20-11-14-23(32-3)15-12-20/h11-16,19,22H,5-10,17-18H2,1-4H3
InChIKey	InChI	1.03	RIACCCXIOWXEOM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71449884
ChEMBL	CHEMBL2171459

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