Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4(cc(c3cc(C(N2CCOCC2Cc1ccccc1)=O)nn3)ncc4)C |
InChI | InChI | 1.03 | InChI=1S/C21H22N4O2/c1-15-7-8-22-18(11-15)19-13-20(24-23-19)21(26)25-9-10-27-14-17(25)12-16-5-3-2-4-6-16/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,23,24)/t17-/m1/s1 |
InChIKey | InChI | 1.03 | MZWBXVWTKIKBTJ-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccnc(c1)c2[nH]nc(c2)C(=O)N3CCOC[C@H]3Cc4ccccc4 |
SMILES | CACTVS | 3.385 | Cc1ccnc(c1)c2[nH]nc(c2)C(=O)N3CCOC[CH]3Cc4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOCC3Cc4ccccc4 |