NTG

5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile

Created:	2019-05-28
Last modified:	2019-08-07

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4 entries where NTG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of NTG

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Chemical Component Summary
Name	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
Systematic Name (OpenEye OEToolkits)	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
Formula	C₁₁ H₁₃ N₃ O
Molecular Weight	203.24
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc2ncc(N1CCCOCC1)cc2
SMILES	CACTVS	3.385	N#Cc1ccc(cn1)N2CCCOCC2
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ncc1N2CCCOCC2)C#N
Canonical SMILES	CACTVS	3.385	N#Cc1ccc(cn1)N2CCCOCC2
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(ncc1N2CCCOCC2)C#N
InChI	InChI	1.03	InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2
InChIKey	InChI	1.03	QPJKHSFVBDONPD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	79838750

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