91Y
Summary
| Name: | 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide |
| Formula: | C21 H24 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 364.441 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(cyclohexanecarbonyl)amino]-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 3-(cyclohexylcarbonylamino)-~{N}-(2,3-dihydro-1~{H}-inden-2-yl)pyrazine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(c3c(C(=O)NC2Cc1c(cccc1)C2)nccn3)C(C4CCCCC4)=O |
| InChI | InChI | 1.03 | InChI=1S/C21H24N4O2/c26-20(14-6-2-1-3-7-14)25-19-18(22-10-11-23-19)21(27)24-17-12-15-8-4-5-9-16(15)13-17/h4-5,8-11,14,17H,1-3,6-7,12-13H2,(H,24,27)(H,23,25,26) |
| InChIKey | InChI | 1.03 | OOCYBEPYZJOAIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)C4CCCCC4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4 |
