7C1
Summary
| Name: | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide |
| Synonyms: | 4-(4-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1-carboximidamide |
| Formula: | C16 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 279.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide |
| OpenEye OEToolkits | 1.6.1 | 4-(4-methyl-1,3-dioxo-isoindol-2-yl)benzenecarboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C2c1cccc(c1C(=O)N2c3ccc(C(=[N@H])N)cc3)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1cccc2C(=O)N(C(=O)c12)c3ccc(cc3)C(N)=N |
| SMILES | CACTVS | 3.352 | Cc1cccc2C(=O)N(C(=O)c12)c3ccc(cc3)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\c1ccc(cc1)N2C(=O)c3cccc(c3C2=O)C)/N |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cccc2c1C(=O)N(C2=O)c3ccc(cc3)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3O2/c1-9-3-2-4-12-13(9)16(21)19(15(12)20)11-7-5-10(6-8-11)14(17)18/h2-8H,1H3,(H3,17,18) |
| InChIKey | InChI | 1.03 | KDWKLFURLBISCV-UHFFFAOYSA-N |
