IGQ
Summary
| Name: | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide |
| Formula: | C16 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 268.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (7~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H16N2O2/c19-16(13-9-10-5-1-2-6-11(10)13)17-15-12-7-3-4-8-14(12)20-18-15/h1-2,5-6,13H,3-4,7-9H2,(H,17,18,19)/t13-/m1/s1 |
| InChIKey | InChI | 1.06 | TVCMRADHQQGKOS-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1noc2CCCCc12)[C@@H]3Cc4ccccc34 |
| SMILES | CACTVS | 3.385 | O=C(Nc1noc2CCCCc12)[CH]3Cc4ccccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C[C@H]2C(=O)Nc3c4c(on3)CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CC2C(=O)Nc3c4c(on3)CCCC4 |
