Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26) |
InChIKey | InChI | 1.06 | XANXFUXIXRLBSI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3 |
SMILES | CACTVS | 3.385 | ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl |