Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1)c4ccc3OC(CC2(N=C(N(C2=O)C)N)c3c4)(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H20ClN3O2/c1-19(2)11-20(17(25)24(3)18(22)23-20)15-10-13(7-8-16(15)26-19)12-5-4-6-14(21)9-12/h4-10H,11H2,1-3H3,(H2,22,23)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | MPQDZTDGJUCWQL-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=N[C@@]2(CC(C)(C)Oc3ccc(cc23)c4cccc(Cl)c4)C1=O)N |
SMILES | CACTVS | 3.370 | CN1C(=N[C]2(CC(C)(C)Oc3ccc(cc23)c4cccc(Cl)c4)C1=O)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CC2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C |