KLK
Summary
| Name: | ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
| Formula: | C12 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 220.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O2/c1-7-10-8(5-3-4-6-9(10)15)11(14-7)12(16)13-2/h14H,3-6H2,1-2H3,(H,13,16) |
| InChIKey | InChI | 1.03 | PZYBAQLWKWXUON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1[nH]c(C)c2C(=O)CCCCc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1[nH]c(C)c2C(=O)CCCCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O |
