JGG

N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide

Created:	2018-09-10
Last modified:	2018-10-10

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6 entries where JGG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	6

2D diagram of JGG

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Chemical Component Summary
Name	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(4-cyanophenyl)methyl]morpholine-4-carboxamide
Formula	C₁₃ H₁₅ N₃ O₂
Molecular Weight	245.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2
SMILES	CACTVS	3.385	O=C(NCc1ccc(cc1)C#N)N2CCOCC2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1CNC(=O)N2CCOCC2)C#N
Canonical SMILES	CACTVS	3.385	O=C(NCc1ccc(cc1)C#N)N2CCOCC2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1CNC(=O)N2CCOCC2)C#N
InChI	InChI	1.03	InChI=1S/C13H15N3O2/c14-9-11-1-3-12(4-2-11)10-15-13(17)16-5-7-18-8-6-16/h1-4H,5-8,10H2,(H,15,17)
InChIKey	InChI	1.03	ZXWAHHRBFVCEAR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2815672
ChEMBL	CHEMBL1341300

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