A1I9W
Summary
| Name: | ~{N}-[[2-[(3-phenyl-1,2-oxazol-5-yl)carbonyl]-1,3-dihydroisoindol-5-yl]methyl]cyclohept-4-ene-1-carboxamide |
| Formula: | C27 H27 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 441.522 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[2-[(3-phenyl-1,2-oxazol-5-yl)carbonyl]-1,3-dihydroisoindol-5-yl]methyl]cyclohept-4-ene-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H27N3O3/c31-26(21-10-4-1-2-5-11-21)28-16-19-12-13-22-17-30(18-23(22)14-19)27(32)25-15-24(29-33-25)20-8-6-3-7-9-20/h1-3,6-9,12-15,21H,4-5,10-11,16-18H2,(H,28,31) |
| InChIKey | InChI | 1.06 | MFVDGNSDVQIQIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccc2CN(Cc2c1)C(=O)c3onc(c3)c4ccccc4)C5CCC=CCC5 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccc2CN(Cc2c1)C(=O)c3onc(c3)c4ccccc4)C5CCC=CCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(on2)C(=O)N3Cc4ccc(cc4C3)CNC(=O)C5CCC=CCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(on2)C(=O)N3Cc4ccc(cc4C3)CNC(=O)C5CCC=CCC5 |
