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Molecule : W7V

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1
2	InChIKey	InChI	1.03	KPSCQDHJPNEXSJ-LDYMZIIASA-N
3	SMILES	ACDLabs	12.01	C1CCC3C1(C(N(C)c2cnnc2)=O)C3
4	SMILES	CACTVS	3.385	CN(C(=O)[C]12CCC[CH]1C2)c3c[nH]nc3
5	SMILES	OpenEye OEToolkits	2.0.7	CN(c1c[nH]nc1)C(=O)C23CCCC2C3
6	Canonical SMILES	CACTVS	3.385	CN(C(=O)[C@@]12CCC[C@@H]1C2)c3c[nH]nc3
7	Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(c1c[nH]nc1)C(=O)C23CCC[C@@H]2C3