Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1C(C1)NC(c4ccc(C)c(c2cc(C(C)=O)n3c2nccc3)c4)=O |
InChI | InChI | 1.03 | InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) |
InChIKey | InChI | 1.03 | RPBMXJHQYJLPDN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc(c2ncccn12)c3cc(ccc3C)C(=O)NC4CC4 |
SMILES | CACTVS | 3.385 | CC(=O)c1cc(c2ncccn12)c3cc(ccc3C)C(=O)NC4CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4 |