Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4CCNCC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4ccccc4Cl)c2C1=O |
SMILES | CACTVS | 3.341 | CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4ccccc4Cl)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2c(n(c(n2)N3CCNCC3)Cc4ccccc4Cl)C(=O)N(C1=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3 |
InChIKey | InChI | 1.03 | PDZWWGBRZISNRL-UHFFFAOYSA-N |