Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H23N5O/c1-27-13-17-6-4-5-9-20(17)16-10-11-22-21(12-16)23(29-25(26)28-22)24(31)30-14-18-7-2-3-8-19(18)15-30/h2-12,27H,13-15H2,1H3,(H2,26,28,29) |
InChIKey | InChI | 1.03 | MNDBIURAICAMAU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNCc1ccccc1c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2 |
SMILES | CACTVS | 3.385 | CNCc1ccccc1c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4 |