Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2C(N(C)C)=C(Oc1cc(C#N)cc(Cl)c1)C=C(N2)CC(=O)N4Cc3ccccc3CC4 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C1=C(Oc2cc(Cl)cc(c2)C#N)C=C(CC(=O)N3CCc4ccccc4C3)NC1=O |
SMILES | CACTVS | 3.341 | CN(C)C1=C(Oc2cc(Cl)cc(c2)C#N)C=C(CC(=O)N3CCc4ccccc4C3)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C1=C(C=C(NC1=O)CC(=O)N2CCc3ccccc3C2)Oc4cc(cc(c4)Cl)C#N |
InChI | InChI | 1.03 | InChI=1S/C25H23ClN4O3/c1-29(2)24-22(33-21-10-16(14-27)9-19(26)11-21)12-20(28-25(24)32)13-23(31)30-8-7-17-5-3-4-6-18(17)15-30/h3-6,9-12H,7-8,13,15H2,1-2H3,(H,28,32) |
InChIKey | InChI | 1.03 | CLCCLHPVIUSCJF-UHFFFAOYSA-N |