Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@]1([C@@H]2CC[C@@H](C2)[C@H]1c3ccccc3)C(=O)c4ccccc4 |
SMILES | CACTVS | 3.341 | N[C]1([CH]2CC[CH](C2)[CH]1c3ccccc3)C(=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C2C3CCC(C3)C2(C(=O)c4ccccc4)N |
InChI | InChI | 1.03 | InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1 |
InChIKey | InChI | 1.03 | XJQDTOANLAPEIM-JRBPQWBISA-N |