Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)CC3)Cl |
InChI | InChI | 1.03 | InChI=1S/C19H23ClN4O/c1-14(2)16-5-3-15(4-6-16)11-19(25)24-9-7-23(8-10-24)18-13-21-17(20)12-22-18/h3-6,12-14H,7-11H2,1-2H3 |
InChIKey | InChI | 1.03 | ZABUHCOUTMKPGC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(CC(=O)N2CCN(CC2)c3cnc(Cl)cn3)cc1 |
SMILES | CACTVS | 3.385 | CC(C)c1ccc(CC(=O)N2CCN(CC2)c3cnc(Cl)cn3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3cnc(cn3)Cl |