A1IDO
Summary
| Name: | ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide |
| 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}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H23ClN2O2/c1-2-21(25)24(14-15-3-5-16(22)6-4-15)18-8-11-19(12-9-18)26-20-10-7-17(23)13-20/h2-6,8-9,11-12,17,20H,1,7,10,13-14,23H2/t17-,20-/m1/s1 |
| InChIKey | InChI | 1.06 | RCIGCKKIWRZXFW-YLJYHZDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CC[C@H](C1)Oc2ccc(cc2)N(Cc3ccc(Cl)cc3)C(=O)C=C |
| SMILES | CACTVS | 3.385 | N[CH]1CC[CH](C1)Oc2ccc(cc2)N(Cc3ccc(Cl)cc3)C(=O)C=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N(Cc1ccc(cc1)Cl)c2ccc(cc2)O[C@@H]3CC[C@H](C3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)N(Cc1ccc(cc1)Cl)c2ccc(cc2)OC3CCC(C3)N |
