7ZQ
Summary
| Name: | 3-chloranyl-N-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide |
| Formula: | C17 H17 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 316.782 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-chloranyl-~{N}-[2-oxidanylidene-2-[[(1~{S})-1-phenylethyl]amino]ethyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | MWDVCHRYCKXEBY-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)CNC(=O)c1cccc(Cl)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)CNC(=O)c1cccc(Cl)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)NC(=O)CNC(=O)c2cccc(c2)Cl |
