A1B1L
Summary
| Name: | (3S)-1-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C17 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 315.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccc2NC(=O)CCc2c1)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H21N3O3/c18-17(23)13-2-1-7-20(10-13)16(22)9-11-3-5-14-12(8-11)4-6-15(21)19-14/h3,5,8,13H,1-2,4,6-7,9-10H2,(H2,18,23)(H,19,21)/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | HFCZUIHMPUCWLX-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccc3NC(=O)CCc3c2 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccc3NC(=O)CCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CC(=O)N3CCC[C@@H](C3)C(=O)N)CCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1CC(=O)N3CCCC(C3)C(=O)N)CCC(=O)N2 |
