Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C3N(C(=NC(c2cc(c1cccc(OC)c1)ccc2)(C)C3)N)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)c2cccc(c2)[C@]3(C)CC(=O)N(C)C(=N3)N |
SMILES | CACTVS | 3.341 | COc1cccc(c1)c2cccc(c2)[C]3(C)CC(=O)N(C)C(=N3)N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | LQOCXPOKEPYGTJ-IBGZPJMESA-N |