Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NCc1cccc(c1)c3cn2c(CCC2)n3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C20H19N3O/c24-20(16-7-2-1-3-8-16)21-13-15-6-4-9-17(12-15)18-14-23-11-5-10-19(23)22-18/h1-4,6-9,12,14H,5,10-11,13H2,(H,21,24) |
InChIKey | InChI | 1.03 | OHOWMSISBAWFED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=C(NCc1cccc(c1)c2cn3CCCc3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4 |