QXK

2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

Created:	2020-08-19
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	0
Bond Count	72
Aromatic Bond Count	17

2D diagram of QXK

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Chemical Component Summary
Name	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Systematic Name (OpenEye OEToolkits)	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula	C₂₉ H₃₅ N₃ O₂
Molecular Weight	457.607
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1
SMILES	OpenEye OEToolkits	2.0.7	CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4
Canonical SMILES	CACTVS	3.385	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3cccc4c3cccc4
InChI	InChI	1.03	InChI=1S/C29H35N3O2/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)
InChIKey	InChI	1.03	AGJXNYANCJMTSI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156022753

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.