UM8
Summary
| Name: | 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide |
| Synonyms: | ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide |
| Formula: | C19 H19 N5 O |
| Formal charge: | 0 |
| Formula weight: | 333.387 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25) |
| InChIKey | InChI | 1.03 | NUQGANYMFKALLD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4CC4 |
| SMILES | CACTVS | 3.385 | Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1cc(nn1)c2cc(cc(n2)Cc3ccccc3)C(=O)NC4CC4 |
