G1V
Summary
| Name: | N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]pyrazole-3-carboxamide |
| Synonyms: | N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(2,6-dichlorobenzamido)-1-(2,6-dichlorobenzoyl)-1H-pyrazole-3-carboxamide |
| Formula: | C23 H17 Cl4 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 553.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R},5~{S})-3-azabicyclo[3.1.0]hexan-6-yl]-1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]pyrazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H17Cl4N5O3/c24-12-3-1-4-13(25)17(12)21(33)29-16-9-32(23(35)18-14(26)5-2-6-15(18)27)31-20(16)22(34)30-19-10-7-28-8-11(10)19/h1-6,9-11,19,28H,7-8H2,(H,29,33)(H,30,34)/t10-,11+,19+ |
| InChIKey | InChI | 1.06 | HZTMZIIFOWDZHC-QEAOQQLJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3[C@H]4CNC[C@@H]34)C(=O)c5c(Cl)cccc5Cl |
| SMILES | CACTVS | 3.385 | Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3[CH]4CNC[CH]34)C(=O)c5c(Cl)cccc5Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3[C@H]4[C@@H]3CNC4)C(=O)c5c(cccc5Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3C4C3CNC4)C(=O)c5c(cccc5Cl)Cl)Cl |
