YRA
Summary
| Name: | 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide |
| Formula: | C16 H17 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 288.772 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H17ClN2O/c17-15-10-12(11-19-9-8-16(18)20)6-7-14(15)13-4-2-1-3-5-13/h1-7,10,19H,8-9,11H2,(H2,18,20) |
| InChIKey | InChI | 1.03 | ZYJVPHMDRCBKBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | NC(=O)CCNCc1ccc(c(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N |
