Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)N(c2ccccc2)CC3C(CNC3)Cc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C24H25ClN2/c25-22-11-13-24(14-12-22)27(23-9-5-2-6-10-23)18-21-17-26-16-20(21)15-19-7-3-1-4-8-19/h1-14,20-21,26H,15-18H2/t20-,21+/m1/s1 |
InChIKey | InChI | 1.03 | FCWGSUKXROLTNW-RTWAWAEBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Clc1ccc(cc1)N(C[C@@H]2CNC[C@H]2Cc3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.370 | Clc1ccc(cc1)N(C[CH]2CNC[CH]2Cc3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C[C@@H]2CNC[C@H]2CN(c3ccccc3)c4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CC2CNCC2CN(c3ccccc3)c4ccc(cc4)Cl |