Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c4c(c1noc(c1C(NC(c3cc2c(cccc2)cc3)C)=O)C(C)C)c(ccc4)Cl |
InChI | InChI | 1.03 | InChI=1S/C25H23ClN2O2/c1-15(2)24-22(23(28-30-24)20-10-6-7-11-21(20)26)25(29)27-16(3)18-13-12-17-8-4-5-9-19(17)14-18/h4-16H,1-3H3,(H,27,29)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | OKVWUQCQUFGLKM-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[C@H](C)c3ccc4ccccc4c3 |
SMILES | CACTVS | 3.385 | CC(C)c1onc(c2ccccc2Cl)c1C(=O)N[CH](C)c3ccc4ccccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1ccc2ccccc2c1)NC(=O)c3c(noc3C(C)C)c4ccccc4Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1c(c(no1)c2ccccc2Cl)C(=O)NC(C)c3ccc4ccccc4c3 |