| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC=1C(=O)NC=NC=1CC(CN1CC(C#N)C1)c1ccc(cc1)C#Cc1ccc(cc1)CN1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C30H31N5O3/c31-16-25-18-35(19-25)20-27(15-28-29(36)30(37)33-21-32-28)26-9-7-23(8-10-26)2-1-22-3-5-24(6-4-22)17-34-11-13-38-14-12-34/h3-10,21,25,27,36H,11-15,17-20H2,(H,32,33,37)/t27-/m1/s1 |
| InChIKey | InChI | 1.06 | RVSQDMFHNYKDPF-HHHXNRCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=C(C[C@H](CN2CC(C2)C#N)c3ccc(cc3)C#Cc4ccc(CN5CCOCC5)cc4)N=CNC1=O |
| SMILES | CACTVS | 3.385 | OC1=C(C[CH](CN2CC(C2)C#N)c3ccc(cc3)C#Cc4ccc(CN5CCOCC5)cc4)N=CNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)[C@H](CC4=C(C(=O)NC=N4)O)CN5CC(C5)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)C(CC4=C(C(=O)NC=N4)O)CN5CC(C5)C#N |
