Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(c(Cl)cc1)C(F)(F)F |
InChI | InChI | 1.03 | InChI=1S/C16H14ClF3N4O3/c17-11-2-1-9(7-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27) |
InChIKey | InChI | 1.03 | CVDMNVBBLCPUMH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cc(ccc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 |
SMILES | CACTVS | 3.385 | FC(F)(F)c1cc(ccc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl |