Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCCCCCO)Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H30N4O2/c1-15-8-10-16(11-9-15)24-18(14-17(23-24)20(2,3)4)22-19(26)21-12-6-5-7-13-25/h8-11,14,25H,5-7,12-13H2,1-4H3,(H2,21,22,26) |
InChIKey | InChI | 1.03 | KYUWRMMQYZFHGQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)n2nc(cc2NC(=O)NCCCCCO)C(C)(C)C |
SMILES | CACTVS | 3.370 | Cc1ccc(cc1)n2nc(cc2NC(=O)NCCCCCO)C(C)(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCCCCO |