C2W
Summary
| Name: | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide |
| Formula: | C25 H26 Cl N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 483.944 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H26ClN3O5/c1-32-17-5-7-21-18(14-17)23(30)28-20(24(31)29-25(15-27)8-9-25)13-16-4-6-22(19(26)12-16)34-11-3-2-10-33-21/h4-7,12,14,20H,2-3,8-11,13H2,1H3,(H,28,30)(H,29,31)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | QAEMDWMOUWWGNG-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2OCCCCOc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC4(CC4)C#N)cc3Cl |
| SMILES | CACTVS | 3.385 | COc1ccc2OCCCCOc3ccc(C[CH](NC(=O)c2c1)C(=O)NC4(CC4)C#N)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc2c(c1)C(=O)NC(Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N |
