V00
Summary
| Name: | ~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide |
| Formula: | C26 H29 F N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 420.519 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H29FN2O2/c1-18(25-16-23(31-2)15-21-7-3-4-9-24(21)25)29-12-10-20(11-13-29)26(30)28-17-19-6-5-8-22(27)14-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H,28,30)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | VMBLTEVHYLOHOW-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2ccccc2c(c1)[C@@H](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4 |
| SMILES | CACTVS | 3.385 | COc1cc2ccccc2c(c1)[CH](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1cc(cc2c1cccc2)OC)N3CCC(CC3)C(=O)NCc4cccc(c4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cc(cc2c1cccc2)OC)N3CCC(CC3)C(=O)NCc4cccc(c4)F |
