Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 |
InChI | InChI | 1.03 | InChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25) |
InChIKey | InChI | 1.03 | LCPRHOCWQQSJED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)nn3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)Cl |