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Molecule : ZJI

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C13H17N3O3/c17-12(11-2-1-9-19-11)15-5-7-16(8-6-15)13(18)14-10-3-4-10/h1-2,9-10H,3-8H2,(H,14,18)
2	InChIKey	InChI	1.06	XDMLFKCHHBCVAB-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C(N1CCN(CC1)C(=O)NC1CC1)c1ccco1
4	SMILES	CACTVS	3.385	O=C(NC1CC1)N2CCN(CC2)C(=O)c3occc3
5	SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NC3CC3
6	Canonical SMILES	CACTVS	3.385	O=C(NC1CC1)N2CCN(CC2)C(=O)c3occc3
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NC3CC3