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Molecule : J8F

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C19H17N3O/c1-22(10-11-23)19-8-4-15(5-9-19)12-18(14-21)17-6-2-16(13-20)3-7-17/h2-9,12,23H,10-11H2,1H3/b18-12+
2	InChIKey	InChI	1.03	DIAVZHWDYXQAFC-LDADJPATSA-N
3	SMILES	CACTVS	3.385	CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N
4	SMILES	OpenEye OEToolkits	2.0.7	CN(CCO)c1ccc(cc1)C=C(C#N)c2ccc(cc2)C#N
5	Canonical SMILES	CACTVS	3.385	CN(CCO)c1ccc(cc1)\C=C(C#N)\c2ccc(cc2)C#N
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCO)c1ccc(cc1)/C=C(\C#N)/c2ccc(cc2)C#N