6S4
Summary
| Name: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Formula: | C14 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 232.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | DMJXRYSGXCLCFP-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 |
| SMILES | CACTVS | 3.385 | CC(C)(C)NC(=O)[CH]1Cc2ccccc2CN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)(C)NC(=O)C1Cc2ccccc2CN1 |
