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Molecule : JW2

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C13H17N3O2/c17-12(13(18)16-10-5-1-2-6-10)15-9-11-7-3-4-8-14-11/h3-4,7-8,10H,1-2,5-6,9H2,(H,15,17)(H,16,18)
2	InChIKey	InChI	1.03	UNZKMRJPKZCKQO-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	O=C(NCc1ccccn1)C(=O)NC2CCCC2
4	SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2
5	Canonical SMILES	CACTVS	3.385	O=C(NCc1ccccn1)C(=O)NC2CCCC2
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2