Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(N(C(C)C)CC)c2cc(OCC(Nc1ccncc1)C)cc(c2)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(C(C)C)C(=O)c1cc(C)cc(OC[C@H](C)Nc2ccncc2)c1 |
SMILES | CACTVS | 3.341 | CCN(C(C)C)C(=O)c1cc(C)cc(OC[CH](C)Nc2ccncc2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(C(C)C)C(=O)c1cc(cc(c1)OCC(C)Nc2ccncc2)C |
InChI | InChI | 1.03 | InChI=1S/C21H29N3O2/c1-6-24(15(2)3)21(25)18-11-16(4)12-20(13-18)26-14-17(5)23-19-7-9-22-10-8-19/h7-13,15,17H,6,14H2,1-5H3,(H,22,23)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | JMPSZYHYDMQFEO-KRWDZBQOSA-N |