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Molecule : 5YS

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C20H25N3O2/c1-15(18-4-3-5-19(14-18)25-2)22-20(24)23-12-8-17(9-13-23)16-6-10-21-11-7-16/h3-7,10-11,14-15,17H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1
2	InChIKey	InChI	1.03	TUPUYLLHTGZRRB-OAHLLOKOSA-N
3	SMILES	CACTVS	3.385	COc1cccc(c1)[CH](C)NC(=O)N2CCC(CC2)c3ccncc3
4	SMILES	OpenEye OEToolkits	2.0.7	CC(c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3
5	Canonical SMILES	CACTVS	3.385	COc1cccc(c1)[C@@H](C)NC(=O)N2CCC(CC2)c3ccncc3
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1cccc(c1)OC)NC(=O)N2CCC(CC2)c3ccncc3