Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CNC(=O)CN1Cc2ccc(Cl)cc2C2(CC(=O)N(C2=O)c2cncc3ccccc32)C1 |
InChI | InChI | 1.06 | InChI=1S/C24H21ClN4O3/c1-26-21(30)13-28-12-16-6-7-17(25)8-19(16)24(14-28)9-22(31)29(23(24)32)20-11-27-10-15-4-2-3-5-18(15)20/h2-8,10-11H,9,12-14H2,1H3,(H,26,30)/t24-/m1/s1 |
InChIKey | InChI | 1.06 | UQYRJVFIAXFIFV-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN1Cc2ccc(Cl)cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5ccccc45 |
SMILES | CACTVS | 3.385 | CNC(=O)CN1Cc2ccc(Cl)cc2[C]3(C1)CC(=O)N(C3=O)c4cncc5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)CN1Cc2ccc(cc2C3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl |