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Molecule : LBO

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C17H18N2O/c1-12-7-8-18-11-16(12)19-17(20)10-13-3-2-4-15(9-13)14-5-6-14/h2-4,7-9,11,14H,5-6,10H2,1H3,(H,19,20)
2	InChIKey	InChI	1.06	PTTAFUMPUWHBTC-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	O=C(Nc1cnccc1C)Cc1cccc(c1)C1CC1
4	SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3
5	SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3
6	Canonical SMILES	CACTVS	3.385	Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)C3CC3