Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3 |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | PZEBTCMUWPLVEX-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1N)C(=O)NC(C)c2cccc3c2cccc3 |