6S5
Summary
| Name: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide |
| Formula: | C21 H25 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 367.441 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | ~{N}-(furan-2-ylmethyl)-1-[[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl]piperidine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3O3/c25-20(23-14-18-6-3-11-27-18)15-7-9-24(10-8-15)21(26)19-12-16-4-1-2-5-17(16)13-22-19/h1-6,11,15,19,22H,7-10,12-14H2,(H,23,25)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | CHWQZRDDUSGKFB-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1occc1)C2CCN(CC2)C(=O)[C@@H]3Cc4ccccc4CN3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1occc1)C2CCN(CC2)C(=O)[CH]3Cc4ccccc4CN3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)C[C@H](NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4 |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc2c(c1)CC(NC2)C(=O)N3CCC(CC3)C(=O)NCc4ccco4 |
