Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC)CCC2 |
InChI | InChI | 1.03 | InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | RYAZZWWVNUWKNB-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)N1CCC[C@H]1C(=O)NCc2ccc(cc2)C(N)=N |
SMILES | CACTVS | 3.385 | CCCC(=O)N1CCC[CH]1C(=O)NCc2ccc(cc2)C(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | [H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)\N |
SMILES | OpenEye OEToolkits | 1.7.5 | CCCC(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N |