Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2Nc1ncc(cc1CC2)\C=C\C(=O)N(C)Cc4c3ccccc3n(c4C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CN(Cc1c(C)n(C)c2ccccc12)C(=O)\C=C\c3cnc4NC(=O)CCc4c3 |
SMILES | CACTVS | 3.370 | CN(Cc1c(C)n(C)c2ccccc12)C(=O)C=Cc3cnc4NC(=O)CCc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c2ccccc2n1C)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4 |
InChI | InChI | 1.03 | InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)27(15)3)14-26(2)22(29)11-8-16-12-17-9-10-21(28)25-23(17)24-13-16/h4-8,11-13H,9-10,14H2,1-3H3,(H,24,25,28)/b11-8+ |
InChIKey | InChI | 1.03 | PVNPCRMKZHRPEV-DHZHZOJOSA-N |