87F
Summary
| Name: | 3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
| Formula: | C16 H19 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 285.341 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O2/c20-15-8-3-9-17-14(15)7-4-10-19-11-18-13-6-2-1-5-12(13)16(19)21/h1-2,5-6,11,14,17H,3-4,7-10H2/t14-/m1/s1 |
| InChIKey | InChI | 1.03 | QJHHYCHORSWZHW-CQSZACIVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCCN[C@@H]1CCCN2C=Nc3ccccc3C2=O |
| SMILES | CACTVS | 3.385 | O=C1CCCN[CH]1CCCN2C=Nc3ccccc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CCCC3C(=O)CCCN3 |
