Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC |
SMILES_CANONICAL | CACTVS | 3.370 | CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12 |
SMILES | CACTVS | 3.370 | CCCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C15H22N4O3/c1-4-8-18-10-16-13-12(18)14(21)19(15(22)17(13)3)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3 |
InChIKey | InChI | 1.03 | RBQOQRRFDPXAGN-UHFFFAOYSA-N |