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Molecule : O5X

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C12H17N3/c1-10-8-11(14-12(13)9-10)6-4-5-7-15(2)3/h8-9H,5,7H2,1-3H3,(H2,13,14)
2	InChIKey	InChI	1.03	SWAXYJVGMJZMLB-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	Cc1cc(C#CCCN(C)C)nc(N)c1
4	SMILES	CACTVS	3.385	CN(C)CCC#Cc1cc(C)cc(N)n1
5	SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)C#CCCN(C)C
6	Canonical SMILES	CACTVS	3.385	CN(C)CCC#Cc1cc(C)cc(N)n1
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)C#CCCN(C)C