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Molecule : JC8

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C17H17FN4O/c18-16-13(14-3-1-9(7-20-14)17(19)23)5-10(8-21-16)12-6-11-2-4-15(12)22-11/h1,3,5,7-8,11-12,15,22H,2,4,6H2,(H2,19,23)/t11-,12+,15+/m0/s1
2	InChIKey	InChI	1.03	OTLVFRDBKUDQLP-YWPYICTPSA-N
3	SMILES	CACTVS	3.385	NC(=O)c1ccc(nc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
4	SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1C(=O)N)c2cc(cnc2F)C3CC4CCC3N4
5	Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(nc1)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1C(=O)N)c2cc(cnc2F)[C@H]3C[C@@H]4CC[C@H]3N4