Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc(N)ccc1C)NC(c3c2ccccc2ccc3)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc23 |
SMILES | CACTVS | 3.341 | C[CH](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)N |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | UVERBUNNCOKGNZ-CQSZACIVSA-N |