NKI
Summary
| Name: | (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one |
| Formula: | C14 H11 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 258.703 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | FPWIEUZTQYJRJZ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1)[C@@H]2NC(=O)c3ccccc3N2 |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1)[CH]2NC(=O)c3ccccc3N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)NC(N2)c3ccc(cc3)Cl |
