KNF
Summary
| Name: | Olorinab |
| Synonyms: | (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide |
| Formula: | C18 H23 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 357.407 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanidylpyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | ACSQLTBPYZSGBA-GMXVVIOVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)[C@@H](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[C@H]4C[C@H]4Cc13 |
| SMILES | CACTVS | 3.385 | CC(C)(C)[CH](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[CH]4C[CH]4Cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)[C@@H](CO)NC(=O)c1c2c(n(n1)c3c[n+](ccn3)[O-])[C@H]4C[C@H]4C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C(CO)NC(=O)c1c2c(n(n1)c3c[n+](ccn3)[O-])C4CC4C2 |
