VBE
Summary
| Name: | 1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide |
| Synonyms: | 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide |
| Formula: | C20 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 355.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1,5-dimethyl-~{N}-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenylpropyl]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H25N3O3/c1-14-10-17(12-22(4)19(14)25)20(26)23(13-18(24)21-3)11-15(2)16-8-6-5-7-9-16/h5-10,12,15H,11,13H2,1-4H3,(H,21,24)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | HZVLFNBTVSYMSI-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)CN(C[C@@H](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C |
| SMILES | CACTVS | 3.385 | CNC(=O)CN(C[CH](C)c1ccccc1)C(=O)C2=CN(C)C(=O)C(=C2)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)C(=O)N(C[C@@H](C)c2ccccc2)CC(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(=CN(C1=O)C)C(=O)N(CC(C)c2ccccc2)CC(=O)NC |
