Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC(C)C)CCC2 |
InChI | InChI | 1.03 | InChI=1S/C19H28N4O2/c1-13(2)5-10-17(24)23-11-3-4-16(23)19(25)22-12-14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,20,21)(H,22,25)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | AEKJCSNKYXWOAQ-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCC(=O)N1CCC[C@H]1C(=O)NCc2ccc(cc2)C(N)=N |
SMILES | CACTVS | 3.385 | CC(C)CCC(=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(C)C)\N |
SMILES | OpenEye OEToolkits | 1.7.5 | CC(C)CCC(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N |