85Q
Summary
| Name: | (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide |
| Formula: | C19 H18 Cl2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 377.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},4~{R})-1-(2-chloranylethanoyl)-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18Cl2N2O2/c20-11-18(24)23-12-14(13-5-2-1-3-6-13)9-17(23)19(25)22-16-8-4-7-15(21)10-16/h1-8,10,14,17H,9,11-12H2,(H,22,25)/t14-,17+/m0/s1 |
| InChIKey | InChI | 1.06 | WELUOUAMWVTFIH-WMLDXEAASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1C[C@H](C[C@@H]1C(=O)Nc2cccc(Cl)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | ClCC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc(Cl)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2C[C@@H](N(C2)C(=O)CCl)C(=O)Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CC(N(C2)C(=O)CCl)C(=O)Nc3cccc(c3)Cl |
