5YV
Summary
| Name: | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-cyclohexane-1-carboxamide |
| Formula: | C21 H26 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 338.443 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-cyclohexane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H26N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-5,10-16,18H,6-9H2,1-2H3,(H,23,24)/t15-,16-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | IQNOBOSIDWEVKC-JFIYKMOQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H](C)NC(=O)[C@H]2CC[C@@H](CC2)c3ccncc3 |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH](C)NC(=O)[CH]2CC[CH](CC2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cccc(c1)OC)NC(=O)C2CCC(CC2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccc(c1)OC)NC(=O)C2CCC(CC2)c3ccncc3 |
