Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1c(ccc(\C=N\O)c1)C)NC(C)c2cccc3c2cccc3 |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1 |
InChIKey | InChI | 1.03 | UTAGJMUNTWRPTE-IKMPRTQCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)c1cc(ccc1C)\C=N\O)c2cccc3ccccc23 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)c1cc(ccc1C)C=NO)c2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)C=NO |