Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC2CC1N(C)C(CC1)C2)c4c3ccccc3nc4 |
SMILES_CANONICAL | CACTVS | 3.352 | CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4ccccc34 |
SMILES | CACTVS | 3.352 | CN1[CH]2CC[CH]1CC(C2)OC(=O)c3c[nH]c4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4 |
SMILES | OpenEye OEToolkits | 1.6.1 | CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccc4 |
InChI | InChI | 1.03 | InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ |
InChIKey | InChI | 1.03 | ZNRGQMMCGHDTEI-ITGUQSILSA-N |