A1A5F
Summary
| Name: | (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide |
| Formula: | C17 H20 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 312.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-6-methyl-~{N}-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydro-2~{H}-chromene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc2OC(CCc2c1)C(=O)Nc1nnc2CCCCn21 |
| InChI | InChI | 1.06 | InChI=1S/C17H20N4O2/c1-11-5-7-13-12(10-11)6-8-14(23-13)16(22)18-17-20-19-15-4-2-3-9-21(15)17/h5,7,10,14H,2-4,6,8-9H2,1H3,(H,18,20,22)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | YDEWJBKIEUSXQZ-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2O[C@@H](CCc2c1)C(=O)Nc3nnc4CCCCn34 |
| SMILES | CACTVS | 3.385 | Cc1ccc2O[CH](CCc2c1)C(=O)Nc3nnc4CCCCn34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)CC[C@H](O2)C(=O)Nc3nnc4n3CCCC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1)CCC(O2)C(=O)Nc3nnc4n3CCCC4 |
