Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3N(C(=NC(C2CC2c1ccccc1)(C3)C)N)C |
InChI | InChI | 1.03 | InChI=1S/C15H19N3O/c1-15(9-13(19)18(2)14(16)17-15)12-8-11(12)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H2,16,17)/t11-,12+,15-/m0/s1 |
InChIKey | InChI | 1.03 | YBXYDJCRBQOXMI-ZOWXZIJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C[C@](C)(N=C1N)[C@@H]2C[C@H]2c3ccccc3 |
SMILES | CACTVS | 3.385 | CN1C(=O)C[C](C)(N=C1N)[CH]2C[CH]2c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CC(=O)N(C(=N1)N)C)C2CC2c3ccccc3 |