XEN

1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide

Created:	2015-07-21
Last modified:	2016-01-20

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1 entries where XEN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of XEN

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Chemical Component Summary
Name	1-butyl-1,4,5,6-tetrahydropyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide
Formula	C₁₀ H₁₈ N₂ O
Molecular Weight	182.263
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCCN1C=C(CCC1)C(=O)N
SMILES	CACTVS	3.385	CCCCN1CCCC(=C1)C(N)=O
SMILES	OpenEye OEToolkits	1.9.2	CCCCN1CCCC(=C1)C(=O)N
Canonical SMILES	CACTVS	3.385	CCCCN1CCCC(=C1)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCN1CCCC(=C1)C(=O)N
InChI	InChI	1.03	InChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13)
InChIKey	InChI	1.03	QWLZGRCLLUCDGU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137350158

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