KHG
Summary
| Name: | (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide |
| Formula: | C24 H34 N2 O |
| Formal charge: | 0 |
| Formula weight: | 366.54 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,3R,5R,7S)-N-(trans-4-aminocyclohexyl)-3-methyl-5-phenyltricyclo[3.3.1.1~3,7~]decane-1-carboxamide |
| OpenEye OEToolkits | 2.0.6 | (1~{S},3~{R},5~{R},7~{S})-~{N}-(4-azanylcyclohexyl)-3-methyl-5-phenyl-adamantane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)C43CC2(CC(C)(CC(C2)C3)C4)C(NC5CCC(N)CC5)=O |
| InChI | InChI | 1.03 | InChI=1S/C24H34N2O/c1-22-11-17-12-23(14-22,18-5-3-2-4-6-18)16-24(13-17,15-22)21(27)26-20-9-7-19(25)8-10-20/h2-6,17,19-20H,7-16,25H2,1H3,(H,26,27)/t17-,19-,20-,22+,23+,24-/m0/s1 |
| InChIKey | InChI | 1.03 | TZNRCHUCVIMHIH-UCWUHLBISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)c4ccccc4)C(=O)N[C@H]5CC[C@H](N)CC5 |
| SMILES | CACTVS | 3.385 | C[C]12C[CH]3C[C](C1)(C[C](C3)(C2)c4ccccc4)C(=O)N[CH]5CC[CH](N)CC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4CCC(CC4)N)c5ccccc5 |
