46T
Summary
| Name: | (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine |
| Formula: | C13 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 204.311 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine |
| OpenEye OEToolkits | 1.9.2 | N1,N2-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(=C1/C(=N/C(C)C)/C=CC=CC1)\C(C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11H,9H2,1-4H3/b14-12+,15-13+ |
| InChIKey | InChI | 1.03 | WTKTZDHSCKRTLA-QUMQEAAQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N=C1CC=CC=CC1=NC(C)C |
| SMILES | CACTVS | 3.385 | CC(C)N=C1CC=CC=CC1=NC(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)/N=C/1\CC=CC=C\C1=N/C(C)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)N=C1CC=CC=CC1=NC(C)C |
