Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1c(cc(OC)cc1c(c3c2nnc3C)N4CCNCC4)C |
InChI | InChI | 1.03 | InChI=1S/C17H21N5O/c1-10-8-12(23-3)9-13-15(10)19-17-14(11(2)20-21-17)16(13)22-6-4-18-5-7-22/h8-9,18H,4-7H2,1-3H3,(H,19,20,21) |
InChIKey | InChI | 1.03 | LRBQTFPUUPFJQW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(C)c2nc3[nH]nc(C)c3c(N4CCNCC4)c2c1 |
SMILES | CACTVS | 3.370 | COc1cc(C)c2nc3[nH]nc(C)c3c(N4CCNCC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC |