Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cc2nccc(c2cc1)NC(C)CCCN(CC)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12 |
SMILES | CACTVS | 3.341 | CCN(CC)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl |
InChI | InChI | 1.03 | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | WHTVZRBIWZFKQO-CQSZACIVSA-N |