L46

4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide

Created:	2013-08-19
Last modified:	2014-01-15

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2 entries where L46 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	5

2D diagram of L46

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Chemical Component Summary
Name	4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	4-ethanoyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
Formula	C₁₁ H₁₆ N₂ O₂
Molecular Weight	208.257
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1c(c(c(n1)C)C(=O)C)CC)NC
SMILES	CACTVS	3.385	CCc1c([nH]c(C)c1C(C)=O)C(=O)NC
SMILES	OpenEye OEToolkits	1.7.6	CCc1c(c([nH]c1C(=O)NC)C)C(=O)C
Canonical SMILES	CACTVS	3.385	CCc1c([nH]c(C)c1C(C)=O)C(=O)NC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCc1c(c([nH]c1C(=O)NC)C)C(=O)C
InChI	InChI	1.03	InChI=1S/C11H16N2O2/c1-5-8-9(7(3)14)6(2)13-10(8)11(15)12-4/h13H,5H2,1-4H3,(H,12,15)
InChIKey	InChI	1.03	LCSLEHAEHBSCSA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47265390
ChEMBL	CHEMBL3785648

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