A1JJG
Summary
| Name: | ~{N}-(3-chlorophenyl)-2-[3-[(2~{S})-1-ethanoylpyrrolidin-2-yl]-4-methyl-phenyl]ethanamide |
| Formula: | C21 H23 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 370.873 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-chlorophenyl)-2-[3-[(2~{S})-1-ethanoylpyrrolidin-2-yl]-4-methyl-phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23ClN2O2/c1-14-8-9-16(11-19(14)20-7-4-10-24(20)15(2)25)12-21(26)23-18-6-3-5-17(22)13-18/h3,5-6,8-9,11,13,20H,4,7,10,12H2,1-2H3,(H,23,26)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | GGQWKHMNIQWEEV-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCC[C@H]1c2cc(CC(=O)Nc3cccc(Cl)c3)ccc2C |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCC[CH]1c2cc(CC(=O)Nc3cccc(Cl)c3)ccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1[C@@H]2CCCN2C(=O)C)CC(=O)Nc3cccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1C2CCCN2C(=O)C)CC(=O)Nc3cccc(c3)Cl |
