A1L7W
Summary
| Name: | 5-(3-cyanophenyl)-~{N}-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]methyl]-1,3,4-oxadiazole-2-carboxamide |
| Formula: | C16 H16 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 324.337 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(3-cyanophenyl)-~{N}-[[(3~{S})-1-(iminomethyl)pyrrolidin-3-yl]methyl]-1,3,4-oxadiazole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N6O2/c17-7-11-2-1-3-13(6-11)15-20-21-16(24-15)14(23)19-8-12-4-5-22(9-12)10-18/h1-3,6,10,12,18H,4-5,8-9H2,(H,19,23)/b18-10-/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | WRBUPGZBRUFZCK-XACIZNRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N=CN1CC[C@@H](CNC(=O)c2oc(nn2)c3cccc(c3)C#N)C1 |
| SMILES | CACTVS | 3.385 | N=CN1CC[CH](CNC(=O)c2oc(nn2)c3cccc(c3)C#N)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\N1CC[C@H](C1)CNC(=O)c2nnc(o2)c3cccc(c3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2nnc(o2)C(=O)NCC3CCN(C3)C=N)C#N |
