OPU
Summary
| Name: | (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| Formula: | C17 H15 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 342.78 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-6-chloranyl-~{N}-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-3,4-dihydro-2~{H}-chromene-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1ccn2cnnc2c1NC(=O)C1CCOc2ccc(Cl)cc21 |
| InChI | InChI | 1.06 | InChI=1S/C17H15ClN4O2/c1-10-4-6-22-9-19-21-16(22)15(10)20-17(23)12-5-7-24-14-3-2-11(18)8-13(12)14/h2-4,6,8-9,12H,5,7H2,1H3,(H,20,23)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | AFDLQIMJQFTLQM-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccn2cnnc2c1NC(=O)[C@@H]3CCOc4ccc(Cl)cc34 |
| SMILES | CACTVS | 3.385 | Cc1ccn2cnnc2c1NC(=O)[CH]3CCOc4ccc(Cl)cc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccn2cnnc2c1NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccn2cnnc2c1NC(=O)C3CCOc4c3cc(cc4)Cl |
