SDV
Summary
| Name: | N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide |
| Formula: | C21 H17 F N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 376.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,1-benzoxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H17FN4O2/c22-15-7-2-4-10-19(15)26-18-11-5-9-16(14(18)12-23-26)24-21(27)20-13-6-1-3-8-17(13)25-28-20/h1-4,6-8,10,12,16H,5,9,11H2,(H,24,27)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | KVYFUACEMBMTLM-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1n2ncc3[C@@H](CCCc23)NC(=O)c4onc5ccccc45 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1n2ncc3[CH](CCCc23)NC(=O)c4onc5ccccc45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(on2)C(=O)NC3CCCc4c3cnn4c5ccccc5F |
