Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13 |
SMILES | CACTVS | 3.341 | CCN(CC)CCC[CH](C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(CC)CCC[C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl |
InChI | InChI | 1.03 | InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | GPKJTRJOBQGKQK-MRXNPFEDSA-N |