Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc2C(=O)N(C=Nc12)CC3(CCN(CC3)C(CC(c4ccccc4)C)=O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H26ClN3O3/c1-17(18-5-3-2-4-6-18)13-22(29)27-11-9-24(31,10-12-27)15-28-16-26-21-14-19(25)7-8-20(21)23(28)30/h2-8,14,16-17,31H,9-13,15H2,1H3/t17-/m0/s1 |
InChIKey | InChI | 1.03 | YRRYGKYWFQIDQT-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CC(=O)N1CCC(O)(CC1)CN2C=Nc3cc(Cl)ccc3C2=O)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](CC(=O)N1CCC(O)(CC1)CN2C=Nc3cc(Cl)ccc3C2=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)Cl)O)c4ccccc4 |