Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(Cl)c1C2CCN(CC2)CCCNC(=O)C3CCCN3Cc4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C26H33Cl2N3O/c27-22-9-4-10-23(28)25(22)21-12-17-30(18-13-21)15-6-14-29-26(32)24-11-5-16-31(24)19-20-7-2-1-3-8-20/h1-4,7-10,21,24H,5-6,11-19H2,(H,29,32)/t24-/m1/s1 |
InChIKey | InChI | 1.03 | UWHDLFOAIARROU-XMMPIXPASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(Cl)c1[C@@H]2CCN(CCCNC(=O)[C@H]3CCCN3Cc4ccccc4)CC2 |
SMILES | CACTVS | 3.385 | Clc1cccc(Cl)c1[CH]2CCN(CCCNC(=O)[CH]3CCCN3Cc4ccccc4)CC2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2CCC[C@@H]2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CN2CCCC2C(=O)NCCCN3CCC(CC3)c4c(cccc4Cl)Cl |