Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1ncn(c1)Cc2ccccc2)N4CCN(c3ccccc3Cl)CC4 |
InChI | InChI | 1.03 | InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2 |
InChIKey | InChI | 1.03 | ITFKVPSANNTLSY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3 |
SMILES | CACTVS | 3.385 | Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl |