4L2
Summary
| Name: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one |
| Formula: | C16 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 270.326 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 1,4-dimethyl-7-(2-oxidanylidenepiperidin-1-yl)quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1CCCCN1c3cc2N(C)C(=O)C=C(C)c2cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O2/c1-11-9-16(20)17(2)14-10-12(6-7-13(11)14)18-8-4-3-5-15(18)19/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | TVJZEYRKRPKMHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)C=C(C)c2ccc(cc12)N3CCCCC3=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)C=C(C)c2ccc(cc12)N3CCCCC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C |
