Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2Nc1ncc(cc1CC2)\C=C\C(=O)N(C)Cc4c3ccccc3n(c4)C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(Cc1cn(C)c2ccccc12)C(=O)/C=C/c3cnc4NC(=O)CCc4c3 |
SMILES | CACTVS | 3.341 | CN(Cc1cn(C)c2ccccc12)C(=O)C=Cc3cnc4NC(=O)CCc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4 |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cc(c2c1cccc2)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4 |
InChI | InChI | 1.03 | InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ |
InChIKey | InChI | 1.03 | VAZMNDXVXVUKFY-JXMROGBWSA-N |