Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H21N3O2/c1-14(16-10-6-8-15-7-4-5-9-17(15)16)25-22-18-11-20(26-2)21(27-3)12-19(18)23-13-24-22/h4-14H,1-3H3,(H,23,24,25)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | YREPTYNUQVYXCF-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ncnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC |
SMILES | CACTVS | 3.385 | COc1cc2ncnc(N[CH](C)c3cccc4ccccc34)c2cc1OC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC |