LO8
Summary
| Name: | (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide |
| Formula: | C16 H23 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 289.373 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H23N3O2/c1-16(12-19(8-7-18-16)14-10-21-11-14)15(20)17-9-13-5-3-2-4-6-13/h2-6,14,18H,7-12H2,1H3,(H,17,20)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | IRKRQLZUELHGGZ-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 |
| SMILES | CACTVS | 3.385 | C[C]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@]1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3 |
