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Molecule : 3G3

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)
2	InChIKey	InChI	1.03	DEOJDUHRJBKATO-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	O=C1N(C(=O)c2ccccc12)CCc3nnnn3
4	SMILES	CACTVS	3.341	O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13
5	SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3
6	Canonical SMILES	CACTVS	3.341	O=C1N(CCc2[nH]nnn2)C(=O)c3ccccc13
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3