C7Q
Summary
| Name: | (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide |
| Formula: | C25 H26 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 451.945 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H26ClN3O3/c26-20-14-17-9-10-22(20)32-13-5-1-2-6-18-7-3-4-8-19(18)23(30)28-21(15-17)24(31)29-25(16-27)11-12-25/h1,3-5,7-10,14,16,21,27H,2,6,11-13,15H2,(H,28,30)(H,29,31)/b5-1+,27-16-/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | CJAUYAHYMUMAOK-WEUOEPLYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2C[C@H](NC(=O)c3ccccc3CC/C=C/COc1cc2)C(=O)NC4(CC4)C=N |
| SMILES | CACTVS | 3.385 | Clc1cc2C[CH](NC(=O)c3ccccc3CCC=CCOc1cc2)C(=O)NC4(CC4)C=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C\C1(CC1)NC(=O)[C@@H]2Cc3ccc(c(c3)Cl)OC/C=C/CCc4ccccc4C(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CCC=CCOc3ccc(cc3Cl)CC(NC2=O)C(=O)NC4(CC4)C=N |
