D9T
Summary
| Name: | ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
| Formula: | C14 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 263.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(1-azanylcyclohexyl)methyl]-1-methyl-6-oxidanylidene-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21N3O2/c1-17-9-11(5-6-12(17)18)13(19)16-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,19) |
| InChIKey | InChI | 1.03 | OYMFRGAWSOVJKP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCC2(N)CCCCC2 |
| SMILES | CACTVS | 3.385 | CN1C=C(C=CC1=O)C(=O)NCC2(N)CCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N |
