Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3c2c(c1ccncc1)n(nc2N(C(=O)N3C)CC(C)C)Cc5c4ccccc4ccc5 |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CN1C(=O)N(C)C(=O)c2c1nn(Cc3cccc4ccccc34)c2c5ccncc5 |
SMILES | CACTVS | 3.341 | CC(C)CN1C(=O)N(C)C(=O)c2c1nn(Cc3cccc4ccccc34)c2c5ccncc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C |
InChI | InChI | 1.03 | InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3 |
InChIKey | InChI | 1.03 | NNZDBCPMOOEFTE-UHFFFAOYSA-N |