Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3 |
InChIKey | InChI | 1.06 | DJHGLSHYLFLFFG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34 |
SMILES | CACTVS | 3.385 | CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3 |