Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)CC(N)c1cc(C#N)c2cc(ccc2n1)c1ccncc1 |
InChI | InChI | 1.03 | InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1 |
InChIKey | InChI | 1.03 | FMNWOBLAZAYOSG-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](N)c1cc(C#N)c2cc(ccc2n1)c3ccncc3 |
SMILES | CACTVS | 3.385 | CC(C)C[CH](N)c1cc(C#N)c2cc(ccc2n1)c3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H](c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(c1cc(c2cc(ccc2n1)c3ccncc3)C#N)N |