Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2nn(c1ccccc12)C)NC4CC3N(C)C(CCC3)C4 |
InChI | InChI | 1.03 | InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12-,13+,14- |
InChIKey | InChI | 1.03 | MFWNKCLOYSRHCJ-BTTYYORXSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)c3nn(C)c4ccccc34 |
SMILES | CACTVS | 3.385 | CN1[CH]2CCC[CH]1CC(C2)NC(=O)c3nn(C)c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C |
SMILES | OpenEye OEToolkits | 1.9.2 | Cn1c2ccccc2c(n1)C(=O)NC3CC4CCCC(C3)N4C |