Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C21H26ClN3/c22-18-8-6-17(7-9-18)16-20-4-3-13-25(20)19-10-14-24(15-11-19)21-5-1-2-12-23-21/h1-2,5-9,12,19-20H,3-4,10-11,13-16H2/t20-/m1/s1 |
InChIKey | InChI | 1.06 | XCVVDQHGTQAUAD-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(C[C@H]2CCCN2C3CCN(CC3)c4ccccn4)cc1 |
SMILES | CACTVS | 3.385 | Clc1ccc(C[CH]2CCCN2C3CCN(CC3)c4ccccn4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCC(CC2)N3CCC[C@@H]3Cc4ccc(cc4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)N2CCC(CC2)N3CCCC3Cc4ccc(cc4)Cl |