KV1
Summary
| Name: | N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide |
| Formula: | C23 H27 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 437.492 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-1-(1-benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide |
| OpenEye OEToolkits | 1.7.6 | N-[(3R,5S)-1-(1-benzofuran-3-ylcarbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl]-5-ethyl-2-methyl-pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC)C4N(C(=O)c1c2ccccc2oc1)CC(NC(=O)c3cc(nn3C)CC)C4 |
| InChI | InChI | 1.03 | InChI=1S/C23H27N5O4/c1-4-14-10-18(27(3)26-14)22(30)25-15-11-19(21(29)24-5-2)28(12-15)23(31)17-13-32-20-9-7-6-8-16(17)20/h6-10,13,15,19H,4-5,11-12H2,1-3H3,(H,24,29)(H,25,30)/t15-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | NCHSTBMDNNMMEJ-BEFAXECRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)[C@@H]1C[C@H](CN1C(=O)c2coc3ccccc23)NC(=O)c4cc(CC)nn4C |
| SMILES | CACTVS | 3.385 | CCNC(=O)[CH]1C[CH](CN1C(=O)c2coc3ccccc23)NC(=O)c4cc(CC)nn4C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCc1cc(n(n1)C)C(=O)NC2CC(N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC |
