UZQ
Summary
| Name: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide |
| Synonyms: | (2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
| Formula: | C22 H24 F N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 397.443 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-~{N}-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H24FN3O3/c1-3-4-11-24-21(28)15-9-10-19-18(13-15)25-20(27)12-14(2)26(19)22(29)16-7-5-6-8-17(16)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,28)(H,25,27)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | RZHHEEJRHNWMHI-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC(=O)c1ccc2N([C@@H](C)CC(=O)Nc2c1)C(=O)c3ccccc3F |
| SMILES | CACTVS | 3.385 | CCCCNC(=O)c1ccc2N([CH](C)CC(=O)Nc2c1)C(=O)c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)c1ccc2c(c1)NC(=O)C[C@@H](N2C(=O)c3ccccc3F)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCNC(=O)c1ccc2c(c1)NC(=O)CC(N2C(=O)c3ccccc3F)C |
