7YV
Summary
| Name: | (1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamid |
| Formula: | C17 H23 N O |
| Formal charge: | 0 |
| Formula weight: | 257.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},4~{R})-~{N}-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-3H3,(H,18,19)/t13-,14+,15+/m1/s1 |
| InChIKey | InChI | 1.03 | SIQGKPGBLYKQBB-ILXRZTDVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(NC(=O)[CH]2C[CH]3CC[CH]2C3)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1)C)NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1)C)NC(=O)C2CC3CCC2C3)C |
